G857-1838 Screening compound: 5-[(4-benzylpiperazin-1-yl)(4-fluorophenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol

G857-1838 Screening compound: 5-[(4-benzylpiperazin-1-yl)(4-fluorophenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol
G857-1838 Screening compound: 5-[(4-benzylpiperazin-1-yl)(4-fluorophenyl)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 G857-1838
5-[(4-benzylpiperazin-1-yl)(4-fluorophenyl)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

G857-1838

Molecular Formula

C26H24FN5O2S (C26 H24 FN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Oc1c(C(c(cc2)ccc2F)N2CCN(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12

InChI

InChI=1S/C26H24FN5O2S/c27-20-10-8-19(9-11-20)22(31-14-12-30(13-15-31)17-18-5-2-1-3-6-18)23-25(33)32-26(35-23)28-24(29-32)21-7-4-16-34-21/h1-11,16,22,33H,12-15,17H2/t22-/m1/s1

InChI Key

ARQXLAGWDBTLAX-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD06749157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.050

Distribution Coefficient, logD

0.990

Water Solubility, LogSw

-4.08

Polar Surface Area

52.013

Acid Dissociation Constant (pKa)

4.34

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

G857-1838 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 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 G857-1838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-1838?
Check Price and Availability of G857-1838, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G857-1838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-1838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-1838
  • 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 G857-1838 available by request