8009-6436 Screening compound: 5-{[(E)-3-(4-nitrophenyl)-2-propenoyl]amino}isophthalic acid

8009-6436 Screening compound: 5-{[(E)-3-(4-nitrophenyl)-2-propenoyl]amino}isophthalic acid
8009-6436 Screening compound: 5-{[(E)-3-(4-nitrophenyl)-2-propenoyl]amino}isophthalic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6436
5-{[(E)-3-(4-nitrophenyl)-2-propenoyl]amino}isophthalic acid

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

8009-6436

Molecular Formula

C17H12N2O7 (C17 H12 N2 O7)

Compound Name

5-{[(E)-3-(4-nitrophenyl)-2-propenoyl]amino}isophthalic acid

IUPAC name

5-[(2E)-3-(4-nitrophenyl)prop-2-enamido]benzene-13-dicarboxylic acid

SMILES

[O-][N+](c1ccc(/C=C/C(Nc2cc(C(O)=O)cc(C(O)=O)c2)=O)cc1)=O

InChI

InChI=1S/C17H12N2O7/c20-15(6-3-10-1-4-14(5-2-10)19(25)26)18-13-8-11(16(21)22)7-12(9-13)17(23)24/h1-9H,(H,18,20)(H,21,22)(H,23,24)

InChI Key

ZYPNSCVSZSUYCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01604743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.29

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.808

Distribution Coefficient, logD

0.444

Water Solubility, LogSw

-4.09

Polar Surface Area

113.314

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8009-6436 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8009-6436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6436?
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What is the minimum amount of 8009-6436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6436
  • 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 8009-6436 available by request