1488-0959 Screening compound: (2E)-N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide

1488-0959 Screening compound: (2E)-N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide
1488-0959 Screening compound: (2E)-N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1488-0959
(2E)-N-(3-chlorophenyl)-2-cyano-3-phenylprop-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

1488-0959

Molecular Formula

C16H11ClN2O (C16 H11 ClN2 O)

Compound Name

(2E)-N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide

IUPAC name

(2E)-N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide

SMILES

N#C/C(/C(Nc1cccc(Cl)c1)=O)=C\c1ccccc1

InChI

InChI=1S/C16H11ClN2O/c17-14-7-4-8-15(10-14)19-16(20)13(11-18)9-12-5-2-1-3-6-12/h1-10H,(H,19,20)

InChI Key

ASJMMKCIIYGKKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.73

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.306

Distribution Coefficient, logD

4.220

Water Solubility, LogSw

-4.65

Polar Surface Area

40.386

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1488-0959 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1488-0959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1488-0959?
Check Price and Availability of 1488-0959, 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 1488-0959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1488-0959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1488-0959
  • 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 1488-0959 available by request