8020-6733 Screening compound: (E)-3-(2-chlorophenyl)-2-cyano-2-propenoic acid

8020-6733 Screening compound: (E)-3-(2-chlorophenyl)-2-cyano-2-propenoic acid
8020-6733 Screening compound: (E)-3-(2-chlorophenyl)-2-cyano-2-propenoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-6733
(E)-3-(2-chlorophenyl)-2-cyano-2-propenoic 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

8020-6733

Molecular Formula

C10H6ClNO2 (C10 H6 ClNO2)

Compound Name

(E)-3-(2-chlorophenyl)-2-cyano-2-propenoic acid

IUPAC name

(2E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoic acid

SMILES

N#C/C(/C(O)=O)=C\c(cccc1)c1Cl

InChI

InChI=1S/C10H6ClNO2/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-5H,(H,13,14)

InChI Key

SPTXWNXTYIDOON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09731757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

207.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.789

Distribution Coefficient, logD

-5.136

Water Solubility, LogSw

-2.25

Polar Surface Area

45.703

Acid Dissociation Constant (pKa)

0.48

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8020-6733 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8020-6733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-6733?
Check Price and Availability of 8020-6733, 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 8020-6733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-6733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-6733
  • 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 8020-6733 available by request