2389-0961 Screening compound: (2E)-N-{5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl}-3-(2-chlorophenyl)prop-2-enamide

2389-0961 Screening compound: (2E)-N-{5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl}-3-(2-chlorophenyl)prop-2-enamide
2389-0961 Screening compound: (2E)-N-{5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl}-3-(2-chlorophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2389-0961
(2E)-N-{5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl}-3-(2-chlorophenyl)prop-2-enamide

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

2389-0961

Molecular Formula

C19H14BrClN2OS (C19 H14 BrClN2 OS)

Compound Name

(2E)-N-{5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl}-3-(2-chlorophenyl)prop-2-enamide

IUPAC name

(2E)-N-{5-[(4-bromophenyl)methyl]-13-thiazol-2-yl}-3-(2-chlorophenyl)prop-2-enamide

SMILES

O=C(/C=C/c(cccc1)c1Cl)Nc1ncc(Cc(cc2)ccc2Br)s1

InChI

InChI=1S/C19H14BrClN2OS/c20-15-8-5-13(6-9-15)11-16-12-22-19(25-16)23-18(24)10-7-14-3-1-2-4-17(14)21/h1-10,12H,11H2,(H,22,23,24)

InChI Key

QWJOUKRYQSRWNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.76

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.587

Distribution Coefficient, logD

6.572

Water Solubility, LogSw

-6.25

Polar Surface Area

33.413

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

2389-0961 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 2389-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2389-0961?
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What is the minimum amount of 2389-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2389-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2389-0961
  • 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 2389-0961 available by request