G572-0176 Screening compound: 4-ethyl-N-{2-[2-(3-fluorophenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}benzene-1-sulfonamide

G572-0176 Screening compound: 4-ethyl-N-{2-[2-(3-fluorophenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}benzene-1-sulfonamide
G572-0176 Screening compound: 4-ethyl-N-{2-[2-(3-fluorophenyl)-[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 G572-0176
4-ethyl-N-{2-[2-(3-fluorophenyl)-[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

G572-0176

Molecular Formula

C20H19FN4O2S2 (C20 H19 FN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1S(NCCc1csc2nc(-c3cc(F)ccc3)nn12)(=O)=O

InChI

InChI=1S/C20H19FN4O2S2/c1-2-14-6-8-18(9-7-14)29(26,27)22-11-10-17-13-28-20-23-19(24-25(17)20)15-4-3-5-16(21)12-15/h3-9,12-13,22H,2,10-11H2,1H3

InChI Key

BRQIVXFDWCZAGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08318673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.014

Distribution Coefficient, logD

5.014

Water Solubility, LogSw

-4.68

Polar Surface Area

63.043

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G572-0176 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 G572-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G572-0176?
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What is the minimum amount of G572-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G572-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G572-0176
  • 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 G572-0176 available by request