3236-0114 Screening compound: (2E)-3-(2-chlorophenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide

3236-0114 Screening compound: (2E)-3-(2-chlorophenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide
3236-0114 Screening compound: (2E)-3-(2-chlorophenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3236-0114
(2E)-3-(2-chlorophenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-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

3236-0114

Molecular Formula

C16H12ClN3O (C16 H12 ClN3 O)

Compound Name

(2E)-3-(2-chlorophenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide

IUPAC name

(2E)-3-(2-chlorophenyl)-2-cyano-N-[(pyridin-3-yl)methyl]prop-2-enamide

SMILES

N#C/C(/C(NCc1cnccc1)=O)=C\c(cccc1)c1Cl

InChI

InChI=1S/C16H12ClN3O/c17-15-6-2-1-5-13(15)8-14(9-18)16(21)20-11-12-4-3-7-19-10-12/h1-8,10H,11H2,(H,20,21)

InChI Key

PCNSCYNEKDWLTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01163198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.306

Distribution Coefficient, logD

2.306

Water Solubility, LogSw

-3.06

Polar Surface Area

51.226

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

3236-0114 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3236-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3236-0114?
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What is the minimum amount of 3236-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3236-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3236-0114
  • 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 3236-0114 available by request