2389-2596 Screening compound: (2E)-N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-phenylprop-2-enamide

2389-2596 Screening compound: (2E)-N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-phenylprop-2-enamide
2389-2596 Screening compound: (2E)-N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2389-2596
(2E)-N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-phenylprop-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

2389-2596

Molecular Formula

C19H15ClN2OS (C19 H15 ClN2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C=C/c1ccccc1)Nc1ncc(Cc(cc2)ccc2Cl)s1

InChI

InChI=1S/C19H15ClN2OS/c20-16-9-6-15(7-10-16)12-17-13-21-19(24-17)22-18(23)11-8-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,21,22,23)

InChI Key

VEDNGAIZUDRCSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01464940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.86

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

5.822

Distribution Coefficient, logD

5.820

Water Solubility, LogSw

-6.17

Polar Surface Area

33.413

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

2389-2596 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2389-2596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2389-2596?
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What is the minimum amount of 2389-2596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2389-2596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2389-2596
  • 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 2389-2596 available by request