C992-0080 Screening compound: 2,4,6-trimethyl-N-({3-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)benzene-1-sulfonamide

C992-0080 Screening compound: 2,4,6-trimethyl-N-({3-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)benzene-1-sulfonamide
C992-0080 Screening compound: 2,4,6-trimethyl-N-({3-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C992-0080
2,4,6-trimethyl-N-({3-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)benzene-1-sulfonamide

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

C992-0080

Molecular Formula

C16H19N3O2S2 (C16 H19 N3 O2 S2)

Compound Name

2,4,6-trimethyl-N-({3-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)benzene-1-sulfonamide

IUPAC name

246-trimethyl-N-({3-methylimidazo[21-b][13]thiazol-6-yl}methyl)benzene-1-sulfonamide

SMILES

Cc1csc2nc(CNS(c3c(C)cc(C)cc3C)(=O)=O)cn12

InChI

InChI=1S/C16H19N3O2S2/c1-10-5-11(2)15(12(3)6-10)23(20,21)17-7-14-8-19-13(4)9-22-16(19)18-14/h5-6,8-9,17H,7H2,1-4H3

InChI Key

TUTOQSHJVOFHDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05894305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.490

Distribution Coefficient, logD

3.475

Water Solubility, LogSw

-3.64

Polar Surface Area

52.191

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C992-0080 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C992-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C992-0080?
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What is the minimum amount of C992-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C992-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C992-0080
  • 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 C992-0080 available by request