G857-1813 Screening compound: 5-[(2-fluorophenyl)[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol

G857-1813 Screening compound: 5-[(2-fluorophenyl)[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol
G857-1813 Screening compound: 5-[(2-fluorophenyl)[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-1813
5-[(2-fluorophenyl)[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol

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

G857-1813

Molecular Formula

C25H21F2N5O2S (C25 H21 F2 N5 O2 S)

Compound Name

5-[(2-fluorophenyl)[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol

IUPAC name

5-[(2-fluorophenyl)[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-(furan-2-yl)-[124]triazolo[32-b][13]thiazol-6-ol

SMILES

Oc1c(C(c(cccc2)c2F)N(CC2)CCN2c(cccc2)c2F)sc2nc(-c3ccco3)nn12

InChI

InChI=1S/C25H21F2N5O2S/c26-17-7-2-1-6-16(17)21(31-13-11-30(12-14-31)19-9-4-3-8-18(19)27)22-24(33)32-25(35-22)28-23(29-32)20-10-5-15-34-20/h1-10,15,21,33H,11-14H2/t21-/m1/s1

InChI Key

UAEYULALOIHJLS-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD06749134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.705

Distribution Coefficient, logD

1.645

Water Solubility, LogSw

-4.45

Polar Surface Area

51.431

Acid Dissociation Constant (pKa)

4.34

Base Dissociation Constant (pKb)

6.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

G857-1813 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)

Human Transcription Factors Annotated Library (5098 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 G857-1813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-1813?
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What is the minimum amount of G857-1813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-1813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-1813
  • 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 G857-1813 available by request