1852-0313 Screening compound: (2E)-3-(2-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

1852-0313 Screening compound: (2E)-3-(2-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
1852-0313 Screening compound: (2E)-3-(2-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1852-0313
(2E)-3-(2-chlorophenyl)-2-(4-phenyl-1,3-thiazol-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

1852-0313

Molecular Formula

C18H11ClN2S (C18 H11 ClN2 S)

Compound Name

(2E)-3-(2-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-(2-chlorophenyl)-2-(4-phenyl-13-thiazol-2-yl)prop-2-enenitrile

SMILES

N#C/C(/c1nc(-c2ccccc2)cs1)=C\c(cccc1)c1Cl

InChI

InChI=1S/C18H11ClN2S/c19-16-9-5-4-8-14(16)10-15(11-20)18-21-17(12-22-18)13-6-2-1-3-7-13/h1-10,12H

InChI Key

RGXIYYLFWLRXAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.82

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

5.749

Distribution Coefficient, logD

5.749

Water Solubility, LogSw

-6.20

Polar Surface Area

26.757

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1852-0313 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 1852-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1852-0313?
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What is the minimum amount of 1852-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1852-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1852-0313
  • 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 1852-0313 available by request