C848-0537 Screening compound: N-butyl-4-(4-chlorobenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-amine

C848-0537 Screening compound: N-butyl-4-(4-chlorobenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-amine
C848-0537 Screening compound: N-butyl-4-(4-chlorobenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C848-0537
N-butyl-4-(4-chlorobenzenesulfonyl)-2-(propane-1-sulfonyl)-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

C848-0537

Molecular Formula

C16H21ClN2O4S3 (C16 H21 ClN2 O4 S3)

Compound Name

N-butyl-4-(4-chlorobenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-amine

IUPAC name

N-butyl-4-(4-chlorobenzenesulfonyl)-2-(propane-1-sulfonyl)-13-thiazol-5-amine

SMILES

CCCCNc(sc(S(CCC)(=O)=O)n1)c1S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C16H21ClN2O4S3/c1-3-5-10-18-14-15(19-16(24-14)25(20,21)11-4-2)26(22,23)13-8-6-12(17)7-9-13/h6-9,18H,3-5,10-11H2,1-2H3

InChI Key

PNQMBUKQTZSUPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06402004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.555

Distribution Coefficient, logD

4.555

Water Solubility, LogSw

-4.58

Polar Surface Area

78.225

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

-6.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

C848-0537 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 C848-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C848-0537?
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What is the minimum amount of C848-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C848-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C848-0537
  • 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 C848-0537 available by request