0967-0952 Screening compound: (2E)-3-[4-(benzyloxy)phenyl]-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

0967-0952 Screening compound: (2E)-3-[4-(benzyloxy)phenyl]-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
0967-0952 Screening compound: (2E)-3-[4-(benzyloxy)phenyl]-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0967-0952
(2E)-3-[4-(benzyloxy)phenyl]-2-[4-(4-bromophenyl)-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

0967-0952

Molecular Formula

C25H17BrN2OS (C25 H17 BrN2 OS)

Compound Name

(2E)-3-[4-(benzyloxy)phenyl]-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

IUPAC name

(2E)-3-[4-(benzyloxy)phenyl]-2-[4-(4-bromophenyl)-13-thiazol-2-yl]prop-2-enenitrile

SMILES

N#C/C(/c1nc(-c(cc2)ccc2Br)cs1)=C\c(cc1)ccc1OCc1ccccc1

InChI

InChI=1S/C25H17BrN2OS/c26-22-10-8-20(9-11-22)24-17-30-25(28-24)21(15-27)14-18-6-12-23(13-7-18)29-16-19-4-2-1-3-5-19/h1-14,17H,16H2

InChI Key

DYPBWDMEIUMRSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.686

Distribution Coefficient, logD

7.686

Water Solubility, LogSw

-6.39

Polar Surface Area

33.985

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

References: we are preparing a list of scientific research reports with 0967-0952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0967-0952?
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What is the minimum amount of 0967-0952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0967-0952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0967-0952
  • 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 0967-0952 available by request