G857-1855 Screening compound: 5-{[4-(3-chlorophenyl)piperazin-1-yl](4-nitrophenyl)methyl}-2-(furan-2-yl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol

G857-1855 Screening compound: 5-{[4-(3-chlorophenyl)piperazin-1-yl](4-nitrophenyl)methyl}-2-(furan-2-yl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol
G857-1855 Screening compound: 5-{[4-(3-chlorophenyl)piperazin-1-yl](4-nitrophenyl)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 G857-1855
5-{[4-(3-chlorophenyl)piperazin-1-yl](4-nitrophenyl)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

G857-1855

Molecular Formula

C25H21ClN6O4S (C25 H21 ClN6 O4 S)

Compound Name

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

IUPAC name

5-{[4-(3-chlorophenyl)piperazin-1-yl](4-nitrophenyl)methyl}-2-(furan-2-yl)-[124]triazolo[32-b][13]thiazol-6-ol

SMILES

[O-][N+](c1ccc(C(c(sc2nc(-c3ccco3)nn22)c2O)N(CC2)CCN2c2cccc(Cl)c2)cc1)=O

InChI

InChI=1S/C25H21ClN6O4S/c26-17-3-1-4-19(15-17)29-10-12-30(13-11-29)21(16-6-8-18(9-7-16)32(34)35)22-24(33)31-25(37-22)27-23(28-31)20-5-2-14-36-20/h1-9,14-15,21,33H,10-13H2/t21-/m1/s1

InChI Key

HMEKHCWEIFQPHK-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD07192739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.849

Distribution Coefficient, logD

1.789

Water Solubility, LogSw

-4.92

Polar Surface Area

85.114

Acid Dissociation Constant (pKa)

4.34

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

G857-1855 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G857-1855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-1855?
Check Price and Availability of G857-1855, 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 G857-1855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-1855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-1855
  • 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 G857-1855 available by request