C848-0342 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-N-(propan-2-yl)-1,3-thiazol-5-amine

C848-0342 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-N-(propan-2-yl)-1,3-thiazol-5-amine
C848-0342 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-N-(propan-2-yl)-1,3-thiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C848-0342
4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-N-(propan-2-yl)-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

C848-0342

Molecular Formula

C14H17ClN2O4S3 (C14 H17 ClN2 O4 S3)

Compound Name

4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-N-(propan-2-yl)-1,3-thiazol-5-amine

IUPAC name

4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-N-(propan-2-yl)-13-thiazol-5-amine

SMILES

CCS(c1nc(S(c(cc2)ccc2Cl)(=O)=O)c(NC(C)C)s1)(=O)=O

InChI

InChI=1S/C14H17ClN2O4S3/c1-4-23(18,19)14-17-13(12(22-14)16-9(2)3)24(20,21)11-7-5-10(15)6-8-11/h5-9,16H,4H2,1-3H3

InChI Key

QZVGZBJYEKMGBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06737227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.509

Distribution Coefficient, logD

3.509

Water Solubility, LogSw

-3.96

Polar Surface Area

77.357

Acid Dissociation Constant (pKa)

17.13

Base Dissociation Constant (pKb)

-6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

C848-0342 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C848-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C848-0342?
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What is the minimum amount of C848-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C848-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C848-0342
  • 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 C848-0342 available by request