8004-0994 Screening compound: 4-[(E)-({2-[(3-methylphenyl)amino]acetamido}imino)methyl]phenyl 4-nitrobenzoate

8004-0994 Screening compound: 4-[(E)-({2-[(3-methylphenyl)amino]acetamido}imino)methyl]phenyl 4-nitrobenzoate
8004-0994 Screening compound: 4-[(E)-({2-[(3-methylphenyl)amino]acetamido}imino)methyl]phenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0994
4-[(E)-({2-[(3-methylphenyl)amino]acetamido}imino)methyl]phenyl 4-nitrobenzoate

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

8004-0994

Molecular Formula

C23H20N4O5 (C23 H20 N4 O5)

Compound Name

4-[(E)-({2-[(3-methylphenyl)amino]acetamido}imino)methyl]phenyl 4-nitrobenzoate

IUPAC name

4-[(E)-({2-[(3-methylphenyl)amino]acetamido}imino)methyl]phenyl 4-nitrobenzoate

SMILES

Cc1cccc(NCC(N/N=C/c(cc2)ccc2OC(c(cc2)ccc2[N+]([O-])=O)=O)=O)c1

InChI

InChI=1S/C23H20N4O5/c1-16-3-2-4-19(13-16)24-15-22(28)26-25-14-17-5-11-21(12-6-17)32-23(29)18-7-9-20(10-8-18)27(30)31/h2-14,24H,15H2,1H3,(H,26,28)

InChI Key

ULMJVKNBBDIBOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00333300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.295

Distribution Coefficient, logD

4.294

Water Solubility, LogSw

-4.41

Polar Surface Area

99.606

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8004-0994 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8004-0994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0994?
Check Price and Availability of 8004-0994, 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 8004-0994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0994
  • 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 8004-0994 available by request