C848-0370 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine

C848-0370 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine
C848-0370 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C848-0370
4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine

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

C848-0370

Molecular Formula

C18H16ClFN2O4S3 (C18 H16 ClFN2 O4 S3)

Compound Name

4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine

IUPAC name

4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-N-[(4-fluorophenyl)methyl]-13-thiazol-5-amine

SMILES

CCS(c1nc(S(c(cc2)ccc2Cl)(=O)=O)c(NCc(cc2)ccc2F)s1)(=O)=O

InChI

InChI=1S/C18H16ClFN2O4S3/c1-2-28(23,24)18-22-17(29(25,26)15-9-5-13(19)6-10-15)16(27-18)21-11-12-3-7-14(20)8-4-12/h3-10,21H,2,11H2,1H3

InChI Key

NXXJBZQFQUIGDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06401960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.99

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.086

Distribution Coefficient, logD

4.086

Water Solubility, LogSw

-4.39

Polar Surface Area

78.112

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-9.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C848-0370 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C848-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C848-0370?
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What is the minimum amount of C848-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C848-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C848-0370
  • 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 C848-0370 available by request