3666-3128 Screening compound: 1-(4-chloro-3-methylbenzenesulfonyl)-2-methyl-1H-1,3-benzodiazole

3666-3128 Screening compound: 1-(4-chloro-3-methylbenzenesulfonyl)-2-methyl-1H-1,3-benzodiazole
3666-3128 Screening compound: 1-(4-chloro-3-methylbenzenesulfonyl)-2-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3666-3128
1-(4-chloro-3-methylbenzenesulfonyl)-2-methyl-1H-1,3-benzodiazole

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

3666-3128

Molecular Formula

C15H13ClN2O2S (C15 H13 ClN2 O2 S)

Compound Name

1-(4-chloro-3-methylbenzenesulfonyl)-2-methyl-1H-1,3-benzodiazole

IUPAC name

1-(4-chloro-3-methylbenzenesulfonyl)-2-methyl-1H-13-benzodiazole

SMILES

Cc1nc(cccc2)c2n1S(c(cc1)cc(C)c1Cl)(=O)=O

InChI

InChI=1S/C15H13ClN2O2S/c1-10-9-12(7-8-13(10)16)21(19,20)18-11(2)17-14-5-3-4-6-15(14)18/h3-9H,1-2H3

InChI Key

VDCMWDOBSXTIDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02173360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.164

Distribution Coefficient, logD

4.164

Water Solubility, LogSw

-4.39

Polar Surface Area

37.331

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

3666-3128 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 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 3666-3128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3666-3128?
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What is the minimum amount of 3666-3128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3666-3128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3666-3128
  • 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 3666-3128 available by request