2389-1488 Screening compound: (2E)-3-(3,4-dichlorophenyl)-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}prop-2-enamide

2389-1488 Screening compound: (2E)-3-(3,4-dichlorophenyl)-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}prop-2-enamide
2389-1488 Screening compound: (2E)-3-(3,4-dichlorophenyl)-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2389-1488
(2E)-3-(3,4-dichlorophenyl)-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}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

2389-1488

Molecular Formula

C19H13Cl2FN2OS (C19 H13 Cl2 FN2 OS)

Compound Name

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

IUPAC name

(2E)-3-(34-dichlorophenyl)-N-{5-[(4-fluorophenyl)methyl]-13-thiazol-2-yl}prop-2-enamide

SMILES

O=C(/C=C/c(cc1)cc(Cl)c1Cl)Nc1ncc(Cc(cc2)ccc2F)s1

InChI

InChI=1S/C19H13Cl2FN2OS/c20-16-7-3-13(10-17(16)21)4-8-18(25)24-19-23-11-15(26-19)9-12-1-5-14(22)6-2-12/h1-8,10-11H,9H2,(H,23,24,25)

InChI Key

KVNVEPVKMMWBPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.29

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

6.763

Distribution Coefficient, logD

6.761

Water Solubility, LogSw

-6.76

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

2389-1488 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2389-1488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2389-1488?
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What is the minimum amount of 2389-1488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2389-1488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2389-1488
  • 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 2389-1488 available by request