8002-8796 Screening compound: N-(naphthalen-2-yl)-2-[(2E)-3-{4-[(1E)-2-({2-[(naphthalen-2-yl)carbamoyl]phenyl}carbamoyl)eth-1-en-1-yl]phenyl}prop-2-enamido]benzamide

8002-8796 Screening compound: N-(naphthalen-2-yl)-2-[(2E)-3-{4-[(1E)-2-({2-[(naphthalen-2-yl)carbamoyl]phenyl}carbamoyl)eth-1-en-1-yl]phenyl}prop-2-enamido]benzamide
8002-8796 Screening compound: N-(naphthalen-2-yl)-2-[(2E)-3-{4-[(1E)-2-({2-[(naphthalen-2-yl)carbamoyl]phenyl}carbamoyl)eth-1-en-1-yl]phenyl}prop-2-enamido]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-8796
N-(naphthalen-2-yl)-2-[(2E)-3-{4-[(1E)-2-({2-[(naphthalen-2-yl)carbamoyl]phenyl}carbamoyl)eth-1-en-1-yl]phenyl}prop-2-enamido]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

8002-8796

Molecular Formula

C46H34N4O4 (C46 H34 N4 O4)

Compound Name

N-(naphthalen-2-yl)-2-[(2E)-3-{4-[(1E)-2-({2-[(naphthalen-2-yl)carbamoyl]phenyl}carbamoyl)eth-1-en-1-yl]phenyl}prop-2-enamido]benzamide

IUPAC name

N-(naphthalen-2-yl)-2-[(2E)-3-{4-[(1E)-2-({2-[(naphthalen-2-yl)carbamoyl]phenyl}carbamoyl)eth-1-en-1-yl]phenyl}prop-2-enamido]benzamide

SMILES

O=C(/C=C/c1ccc(/C=C/C(Nc(cccc2)c2C(Nc2cc3ccccc3cc2)=O)=O)cc1)Nc(cccc1)c1C(Nc1cc2ccccc2cc1)=O

InChI

InChI=1S/C46H34N4O4/c51-43(49-41-15-7-5-13-39(41)45(53)47-37-25-23-33-9-1-3-11-35(33)29-37)27-21-31-17-19-32(20-18-31)22-28-44(52)50-42-16-8-6-14-40(42)46(54)48-38-26-24-34-10-2-4-12-36(34)30-38/h1-30H,(H,47,53)(H,48,54)(H,49,51)(H,50,52)

InChI Key

KONPCHUGIZNDHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00302322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

706.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

9.357

Distribution Coefficient, logD

9.357

Water Solubility, LogSw

-7.15

Polar Surface Area

90.238

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8002-8796 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 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:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • 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
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8002-8796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-8796?
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What is the minimum amount of 8002-8796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-8796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-8796
  • 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 8002-8796 available by request