G786-2104 Screening compound: 2-(4-fluorophenyl)-N-{2-[2-(4-methoxyphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}acetamide

G786-2104 Screening compound: 2-(4-fluorophenyl)-N-{2-[2-(4-methoxyphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}acetamide
G786-2104 Screening compound: 2-(4-fluorophenyl)-N-{2-[2-(4-methoxyphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-2104
2-(4-fluorophenyl)-N-{2-[2-(4-methoxyphenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}acetamide

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

G786-2104

Molecular Formula

C21H19FN4O2S (C21 H19 FN4 O2 S)

Compound Name

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

IUPAC name

2-(4-fluorophenyl)-N-{2-[2-(4-methoxyphenyl)-[124]triazolo[32-b][13]thiazol-6-yl]ethyl}acetamide

SMILES

COc(cc1)ccc1-c1nn(c(CCNC(Cc(cc2)ccc2F)=O)cs2)c2n1

InChI

InChI=1S/C21H19FN4O2S/c1-28-18-8-4-15(5-9-18)20-24-21-26(25-20)17(13-29-21)10-11-23-19(27)12-14-2-6-16(22)7-3-14/h2-9,13H,10-12H2,1H3,(H,23,27)

InChI Key

UVZCKUPAHWPDGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06708060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.261

Distribution Coefficient, logD

3.261

Water Solubility, LogSw

-3.50

Polar Surface Area

53.028

Acid Dissociation Constant (pKa)

14.22

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G786-2104 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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 G786-2104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-2104?
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What is the minimum amount of G786-2104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-2104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-2104
  • 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 G786-2104 available by request