8006-9298 Screening compound: 3-[(E)-({2-[(2E)-3-(2-methoxyphenyl)prop-2-enamido]acetamido}imino)methyl]phenyl thiophene-2-carboxylate

8006-9298 Screening compound: 3-[(E)-({2-[(2E)-3-(2-methoxyphenyl)prop-2-enamido]acetamido}imino)methyl]phenyl thiophene-2-carboxylate
8006-9298 Screening compound: 3-[(E)-({2-[(2E)-3-(2-methoxyphenyl)prop-2-enamido]acetamido}imino)methyl]phenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9298
3-[(E)-({2-[(2E)-3-(2-methoxyphenyl)prop-2-enamido]acetamido}imino)methyl]phenyl thiophene-2-carboxylate

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

8006-9298

Molecular Formula

C24H21N3O5S (C24 H21 N3 O5 S)

Compound Name

3-[(E)-({2-[(2E)-3-(2-methoxyphenyl)prop-2-enamido]acetamido}imino)methyl]phenyl thiophene-2-carboxylate

IUPAC name

3-[(E)-({2-[(2E)-3-(2-methoxyphenyl)prop-2-enamido]acetamido}imino)methyl]phenyl thiophene-2-carboxylate

SMILES

COc1c(/C=C/C(NCC(N/N=C/c2cccc(OC(c3cccs3)=O)c2)=O)=O)cccc1

InChI

InChI=1S/C24H21N3O5S/c1-31-20-9-3-2-7-18(20)11-12-22(28)25-16-23(29)27-26-15-17-6-4-8-19(14-17)32-24(30)21-10-5-13-33-21/h2-15H,16H2,1H3,(H,25,28)(H,27,29)

InChI Key

NMSICKHQJKADLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.356

Distribution Coefficient, logD

4.356

Water Solubility, LogSw

-4.49

Polar Surface Area

88.839

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8006-9298 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 8006-9298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9298?
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What is the minimum amount of 8006-9298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9298
  • 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 8006-9298 available by request