8008-8197 Screening compound: (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enenitrile

8008-8197 Screening compound: (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enenitrile
8008-8197 Screening compound: (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8197
(2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-methylthiophen-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

8008-8197

Molecular Formula

C17H11ClN2S2 (C17 H11 ClN2 S2)

Compound Name

(2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enenitrile

IUPAC name

(2E)-2-[4-(4-chlorophenyl)-13-thiazol-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enenitrile

SMILES

Cc1c(/C=C(/c2nc(-c(cc3)ccc3Cl)cs2)\C#N)scc1

InChI

InChI=1S/C17H11ClN2S2/c1-11-6-7-21-16(11)8-13(9-19)17-20-15(10-22-17)12-2-4-14(18)5-3-12/h2-8,10H,1H3

InChI Key

SYBKJWUMEIFCFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01628325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.87

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.146

Distribution Coefficient, logD

6.146

Water Solubility, LogSw

-6.53

Polar Surface Area

27.775

Acid Dissociation Constant (pKa)

28.06

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8008-8197 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-8197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8197?
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What is the minimum amount of 8008-8197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8197
  • 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 8008-8197 available by request