8010-4929 Screening compound: (2E)-3-[(4-amino-3,5-dichlorophenyl)carbamoyl]prop-2-enoic acid

8010-4929 Screening compound: (2E)-3-[(4-amino-3,5-dichlorophenyl)carbamoyl]prop-2-enoic acid
8010-4929 Screening compound: (2E)-3-[(4-amino-3,5-dichlorophenyl)carbamoyl]prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4929
(2E)-3-[(4-amino-3,5-dichlorophenyl)carbamoyl]prop-2-enoic 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

8010-4929

Molecular Formula

C10H8Cl2N2O3 (C10 H8 Cl2 N2 O3)

Compound Name

(2E)-3-[(4-amino-3,5-dichlorophenyl)carbamoyl]prop-2-enoic acid

IUPAC name

(2E)-3-[(4-amino-35-dichlorophenyl)carbamoyl]prop-2-enoic acid

SMILES

Nc(c(Cl)cc(NC(/C=C/C(O)=O)=O)c1)c1Cl

InChI

InChI=1S/C10H8Cl2N2O3/c11-6-3-5(4-7(12)10(6)13)14-8(15)1-2-9(16)17/h1-4H,13H2,(H,14,15)(H,16,17)

InChI Key

VGHDBOKWFSYITP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.09

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.559

Distribution Coefficient, logD

-1.899

Water Solubility, LogSw

-2.94

Polar Surface Area

71.158

Acid Dissociation Constant (pKa)

2.94

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8010-4929 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8010-4929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4929?
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What is the minimum amount of 8010-4929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4929
  • 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 8010-4929 available by request