8013-4986 Screening compound: (1E,3Z)-3-bromo-4-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-1,3-butadienyl cyanide

8013-4986 Screening compound: (1E,3Z)-3-bromo-4-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-1,3-butadienyl cyanide
8013-4986 Screening compound: (1E,3Z)-3-bromo-4-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-1,3-butadienyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4986
(1E,3Z)-3-bromo-4-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-1,3-butadienyl 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

8013-4986

Molecular Formula

C20H13BrN2S (C20 H13 BrN2 S)

Compound Name

(1E,3Z)-3-bromo-4-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-1,3-butadienyl cyanide

IUPAC name

(2E4Z)-4-bromo-5-phenyl-2-(4-phenyl-13-thiazol-2-yl)penta-24-dienenitrile

SMILES

N#C/C(/c1nc(-c2ccccc2)cs1)=C\C(\Br)=C\c1ccccc1

InChI

InChI=1S/C20H13BrN2S/c21-18(11-15-7-3-1-4-8-15)12-17(13-22)20-23-19(14-24-20)16-9-5-2-6-10-16/h1-12,14H

InChI Key

AIUDKQVJJQVCKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03058709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.393

Distribution Coefficient, logD

6.393

Water Solubility, LogSw

-6.37

Polar Surface Area

26.757

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8013-4986 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 8013-4986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4986?
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What is the minimum amount of 8013-4986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4986
  • 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 8013-4986 available by request