3643-1785 Screening compound: (2E)-3-(2-chlorophenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

3643-1785 Screening compound: (2E)-3-(2-chlorophenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile
3643-1785 Screening compound: (2E)-3-(2-chlorophenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-1785
(2E)-3-(2-chlorophenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

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

3643-1785

Molecular Formula

C17H12ClN3 (C17 H12 ClN3)

Compound Name

(2E)-3-(2-chlorophenyl)-2-(1-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-(2-chlorophenyl)-2-(1-methyl-1H-13-benzodiazol-2-yl)prop-2-enenitrile

SMILES

Cn1c(/C(/C#N)=C/c(cccc2)c2Cl)nc2c1cccc2

InChI

InChI=1S/C17H12ClN3/c1-21-16-9-5-4-8-15(16)20-17(21)13(11-19)10-12-6-2-3-7-14(12)18/h2-10H,1H3

InChI Key

YALDDRZBFNCBQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00703227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.76

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

4.255

Water Solubility, LogSw

-4.41

Polar Surface Area

28.033

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

3643-1785 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 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 3643-1785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-1785?
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What is the minimum amount of 3643-1785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-1785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-1785
  • 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 3643-1785 available by request