8016-4983 Screening compound: N~1~-(4-chlorophenyl)-2-cyanoacetamide

8016-4983 Screening compound: N~1~-(4-chlorophenyl)-2-cyanoacetamide
8016-4983 Screening compound: N~1~-(4-chlorophenyl)-2-cyanoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4983
N~1~-(4-chlorophenyl)-2-cyanoacetamide

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

8016-4983

Molecular Formula

C9H7ClN2O (C9 H7 ClN2 O)

Compound Name

N~1~-(4-chlorophenyl)-2-cyanoacetamide

IUPAC name

N-(4-chlorophenyl)-2-cyanoacetamide

SMILES

N#CCC(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)

InChI Key

FLLVVAHFEBGZKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00036015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

194.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.720

Distribution Coefficient, logD

1.368

Water Solubility, LogSw

-2.72

Polar Surface Area

40.880

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8016-4983 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 8016-4983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4983?
Check Price and Availability of 8016-4983, 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 8016-4983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4983
  • 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 8016-4983 available by request