G572-0061 Screening compound: 4-methoxy-3-methyl-N-{2-[2-(2-methylphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}benzene-1-sulfonamide

G572-0061 Screening compound: 4-methoxy-3-methyl-N-{2-[2-(2-methylphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}benzene-1-sulfonamide
G572-0061 Screening compound: 4-methoxy-3-methyl-N-{2-[2-(2-methylphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G572-0061
4-methoxy-3-methyl-N-{2-[2-(2-methylphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}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

G572-0061

Molecular Formula

C21H22N4O3S2 (C21 H22 N4 O3 S2)

Compound Name

4-methoxy-3-methyl-N-{2-[2-(2-methylphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}benzene-1-sulfonamide

IUPAC name

4-methoxy-3-methyl-N-{2-[2-(2-methylphenyl)-[124]triazolo[32-b][13]thiazol-6-yl]ethyl}benzene-1-sulfonamide

SMILES

Cc(cccc1)c1-c1nn(c(CCNS(c(cc2)cc(C)c2OC)(=O)=O)cs2)c2n1

InChI

InChI=1S/C21H22N4O3S2/c1-14-6-4-5-7-18(14)20-23-21-25(24-20)16(13-29-21)10-11-22-30(26,27)17-8-9-19(28-3)15(2)12-17/h4-9,12-13,22H,10-11H2,1-3H3

InChI Key

JSLDCPSDBZJULV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08318546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.403

Distribution Coefficient, logD

4.403

Water Solubility, LogSw

-4.46

Polar Surface Area

70.673

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G572-0061 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G572-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G572-0061?
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What is the minimum amount of G572-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G572-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G572-0061
  • 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 G572-0061 available by request