1831-6582 Screening compound: (2Z)-3-(3-chlorophenyl)-2-cyanoprop-2-enamide

1831-6582 Screening compound: (2Z)-3-(3-chlorophenyl)-2-cyanoprop-2-enamide
1831-6582 Screening compound: (2Z)-3-(3-chlorophenyl)-2-cyanoprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1831-6582
(2Z)-3-(3-chlorophenyl)-2-cyanoprop-2-enamide

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

1831-6582

Molecular Formula

C10H7ClN2O (C10 H7 ClN2 O)

Compound Name

(2Z)-3-(3-chlorophenyl)-2-cyanoprop-2-enamide

IUPAC name

(2Z)-3-(3-chlorophenyl)-2-cyanoprop-2-enamide

SMILES

NC(/C(/C#N)=C\c1cccc(Cl)c1)=O

InChI

InChI=1S/C10H7ClN2O/c11-9-3-1-2-7(5-9)4-8(6-12)10(13)14/h1-5H,(H2,13,14)

InChI Key

WKQJEMMLYNQPJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01163509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

206.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.811

Distribution Coefficient, logD

1.811

Water Solubility, LogSw

-2.60

Polar Surface Area

51.354

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1831-6582 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1831-6582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1831-6582?
Check Price and Availability of 1831-6582, 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 1831-6582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1831-6582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1831-6582
  • 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 1831-6582 available by request