C848-0420 Screening compound: 1-methyl-4-[4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-yl]piperazine

C848-0420 Screening compound: 1-methyl-4-[4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-yl]piperazine
C848-0420 Screening compound: 1-methyl-4-[4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C848-0420
1-methyl-4-[4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-yl]piperazine

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

C848-0420

Molecular Formula

C18H25N3O4S3 (C18 H25 N3 O4 S3)

Compound Name

1-methyl-4-[4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-yl]piperazine

IUPAC name

1-methyl-4-[4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-13-thiazol-5-yl]piperazine

SMILES

CCCS(c1nc(S(c2ccc(C)cc2)(=O)=O)c(N2CCN(C)CC2)s1)(=O)=O

InChI

InChI=1S/C18H25N3O4S3/c1-4-13-27(22,23)18-19-16(17(26-18)21-11-9-20(3)10-12-21)28(24,25)15-7-5-14(2)6-8-15/h5-8H,4,9-13H2,1-3H3

InChI Key

DOOFBXHJSDFBMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.122

Distribution Coefficient, logD

2.627

Water Solubility, LogSw

-3.18

Polar Surface Area

76.081

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C848-0420 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C848-0420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C848-0420?
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What is the minimum amount of C848-0420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C848-0420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C848-0420
  • 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 C848-0420 available by request