1085-1055 Screening compound: (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(pyridin-3-yl)prop-2-enenitrile

1085-1055 Screening compound: (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(pyridin-3-yl)prop-2-enenitrile
1085-1055 Screening compound: (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(pyridin-3-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1085-1055
(2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(pyridin-3-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

1085-1055

Molecular Formula

C17H10ClN3S (C17 H10 ClN3 S)

Compound Name

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

IUPAC name

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

SMILES

N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\c1cnccc1

InChI

InChI=1S/C17H10ClN3S/c18-15-5-3-13(4-6-15)16-11-22-17(21-16)14(9-19)8-12-2-1-7-20-10-12/h1-8,10-11H

InChI Key

FIIUHQMCJHIPLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.872

Distribution Coefficient, logD

4.872

Water Solubility, LogSw

-5.31

Polar Surface Area

36.275

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1085-1055 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1085-1055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1085-1055?
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What is the minimum amount of 1085-1055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1085-1055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1085-1055
  • 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 1085-1055 available by request