C848-0439 Screening compound: N-butyl-4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-amine

C848-0439 Screening compound: N-butyl-4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-amine
C848-0439 Screening compound: N-butyl-4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C848-0439
N-butyl-4-(4-methylbenzenesulfonyl)-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

C848-0439

Molecular Formula

C17H24N2O4S3 (C17 H24 N2 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

CCCCNc(sc(S(CCC)(=O)=O)n1)c1S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C17H24N2O4S3/c1-4-6-11-18-15-16(19-17(24-15)25(20,21)12-5-2)26(22,23)14-9-7-13(3)8-10-14/h7-10,18H,4-6,11-12H2,1-3H3

InChI Key

LFCZGXXELFAKHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.59

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

4.384

Distribution Coefficient, logD

4.384

Water Solubility, LogSw

-4.13

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

47.10

C848-0439 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C848-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C848-0439?
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What is the minimum amount of C848-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C848-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C848-0439
  • 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 C848-0439 available by request