8002-8788 Screening compound: 4-nitro-N-[4-(4-{4-[(4-nitro-2-{[(E)-3-(4-nitrophenyl)-2-propenoyl]amino}benzoyl)amino]phenyl}-2-quinazolinyl)phenyl]-2-{[(E)-3-(4-nitrophenyl)-2-propenoyl]amino}benzamide

8002-8788 Screening compound: 4-nitro-N-[4-(4-{4-[(4-nitro-2-{[(E)-3-(4-nitrophenyl)-2-propenoyl]amino}benzoyl)amino]phenyl}-2-quinazolinyl)phenyl]-2-{[(E)-3-(4-nitrophenyl)-2-propenoyl]amino}benzamide
8002-8788 Screening compound: 4-nitro-N-[4-(4-{4-[(4-nitro-2-{[(E)-3-(4-nitrophenyl)-2-propenoyl]amino}benzoyl)amino]phenyl}-2-quinazolinyl)phenyl]-2-{[(E)-3-(4-nitrophenyl)-2-propenoyl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-8788
4-nitro-N-[4-(4-{4-[(4-nitro-2-{[(E)-3-(4-nitrophenyl)-2-propenoyl]amino}benzoyl)amino]phenyl}-2-quinazolinyl)phenyl]-2-{[(E)-3-(4-nitrophenyl)-2-propenoyl]amino}benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8002-8788

Molecular Formula

C52H34N10O12 (C52 H34 N10 O12)

Compound Name

4-nitro-N-[4-(4-{4-[(4-nitro-2-{[(E)-3-(4-nitrophenyl)-2-propenoyl]amino}benzoyl)amino]phenyl}-2-quinazolinyl)phenyl]-2-{[(E)-3-(4-nitrophenyl)-2-propenoyl]amino}benzamide

IUPAC name

4-nitro-N-{4-[4-(4-{4-nitro-2-[(2E)-3-(4-nitrophenyl)prop-2-enamido]benzamido}phenyl)quinazolin-2-yl]phenyl}-2-[(2E)-3-(4-nitrophenyl)prop-2-enamido]benzamide

SMILES

[O-][N+](c1ccc(/C=C/C(Nc(cc(cc2)[N+]([O-])=O)c2C(Nc(cc2)ccc2-c2nc(-c(cc3)ccc3NC(c(ccc([N+]([O-])=O)c3)c3NC(/C=C/c(cc3)ccc3[N+]([O-])=O)=O)=O)nc3ccccc23)=O)=O)cc1)=O

InChI

InChI=1S/C52H34N10O12/c63-47(27-9-31-5-19-37(20-6-31)59(67)68)55-45-29-39(61(71)72)23-25-42(45)51(65)53-35-15-11-33(12-16-35)49-41-3-1-2-4-44(41)57-50(58-49)34-13-17-36(18-14-34)54-52(66)43-26-24-40(62(73)74)30-46(43)56-48(64)28-10-32-7-21-38(22-8-32)60(69)70/h1-30H,(H,53,65)(H,54,66)(H,55,63)(H,56,64)

InChI Key

BTPINDPYDUDYPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00302321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

990.9

Hydrogen Bond Acceptors Count

26.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

20.00

Number of Nitrogen and Oxygen Atoms

22

Partition Coefficient, logP

9.929

Distribution Coefficient, logD

9.908

Water Solubility, LogSw

-6.49

Polar Surface Area

242.820

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8002-8788 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8002-8788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-8788?
Check Price and Availability of 8002-8788, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8002-8788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-8788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-8788
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8002-8788 available by request