8020-5942 Screening compound: 4-bromo-2-cyano-5-[(E)-2-(dimethylamino)-1-ethenyl]phenyl cyanide

8020-5942 Screening compound: 4-bromo-2-cyano-5-[(E)-2-(dimethylamino)-1-ethenyl]phenyl cyanide
8020-5942 Screening compound: 4-bromo-2-cyano-5-[(E)-2-(dimethylamino)-1-ethenyl]phenyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5942
4-bromo-2-cyano-5-[(E)-2-(dimethylamino)-1-ethenyl]phenyl cyanide

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

8020-5942

Molecular Formula

C12H10BrN3 (C12 H10 BrN3)

Compound Name

4-bromo-2-cyano-5-[(E)-2-(dimethylamino)-1-ethenyl]phenyl cyanide

IUPAC name

4-bromo-5-[(1E)-2-(dimethylamino)ethenyl]benzene-12-dicarbonitrile

SMILES

CN(C)/C=C/c(cc(c(C#N)c1)C#N)c1Br

InChI

InChI=1S/C12H10BrN3/c1-16(2)4-3-9-5-10(7-14)11(8-15)6-12(9)13/h3-6H,1-2H3

InChI Key

COXJPCXNCSKRJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26098176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.14

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.209

Distribution Coefficient, logD

2.179

Water Solubility, LogSw

-2.35

Polar Surface Area

37.849

Acid Dissociation Constant (pKa)

34.28

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8020-5942 in Drug Discovery

Included in Screening Libraries

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 8020-5942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5942?
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What is the minimum amount of 8020-5942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5942
  • 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 8020-5942 available by request