3230-2051 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile

3230-2051 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
3230-2051 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3230-2051
(2E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-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

3230-2051

Molecular Formula

C20H13ClN4S (C20 H13 ClN4 S)

Compound Name

(2E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile

IUPAC name

(2E)-2-(13-benzothiazol-2-yl)-3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile

SMILES

Cc(c(/C=C(/c1nc(cccc2)c2s1)\C#N)c1Cl)nn1-c1ccccc1

InChI

InChI=1S/C20H13ClN4S/c1-13-16(19(21)25(24-13)15-7-3-2-4-8-15)11-14(12-22)20-23-17-9-5-6-10-18(17)26-20/h2-11H,1H3

InChI Key

LCUHZCYFVGPRFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02165919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.842

Distribution Coefficient, logD

4.842

Water Solubility, LogSw

-4.93

Polar Surface Area

41.543

Acid Dissociation Constant (pKa)

30.15

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

3230-2051 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3230-2051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3230-2051?
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What is the minimum amount of 3230-2051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3230-2051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3230-2051
  • 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 3230-2051 available by request