C992-0079 Screening compound: 4-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-benzenesulfonamide

C992-0079 Screening compound: 4-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-benzenesulfonamide
C992-0079 Screening compound: 4-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C992-0079
4-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-benzenesulfonamide

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

C992-0079

Molecular Formula

C13H12FN3O2S2 (C13 H12 FN3 O2 S2)

Compound Name

4-fluoro-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-benzenesulfonamide

IUPAC name

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

SMILES

Cc1csc2nc(CNS(c(cc3)ccc3F)(=O)=O)cn12

InChI

InChI=1S/C13H12FN3O2S2/c1-9-8-20-13-16-11(7-17(9)13)6-15-21(18,19)12-4-2-10(14)3-5-12/h2-5,7-8,15H,6H2,1H3

InChI Key

IAZMQZBACWGPEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05894304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.39

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

2.300

Distribution Coefficient, logD

2.292

Water Solubility, LogSw

-2.70

Polar Surface Area

52.191

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

C992-0079 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C992-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C992-0079?
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What is the minimum amount of C992-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C992-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C992-0079
  • 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 C992-0079 available by request