G857-1887 Screening compound: 2-(furan-2-yl)-5-[(3-methoxyphenyl)(pyrrolidin-1-yl)methyl]-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol

G857-1887 Screening compound: 2-(furan-2-yl)-5-[(3-methoxyphenyl)(pyrrolidin-1-yl)methyl]-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol
G857-1887 Screening compound: 2-(furan-2-yl)-5-[(3-methoxyphenyl)(pyrrolidin-1-yl)methyl]-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-1887
2-(furan-2-yl)-5-[(3-methoxyphenyl)(pyrrolidin-1-yl)methyl]-[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

G857-1887

Molecular Formula

C20H20N4O3S (C20 H20 N4 O3 S)

Compound Name

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

IUPAC name

2-(furan-2-yl)-5-[(3-methoxyphenyl)(pyrrolidin-1-yl)methyl]-[124]triazolo[32-b][13]thiazol-6-ol

SMILES

COc1cccc(C(c(sc2nc(-c3ccco3)nn22)c2O)N2CCCC2)c1

InChI

InChI=1S/C20H20N4O3S/c1-26-14-7-4-6-13(12-14)16(23-9-2-3-10-23)17-19(25)24-20(28-17)21-18(22-24)15-8-5-11-27-15/h4-8,11-12,16,25H,2-3,9-10H2,1H3/t16-/m1/s1

InChI Key

FXYYBMNELDKXPR-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD06749172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.172

Distribution Coefficient, logD

3.172

Water Solubility, LogSw

-3.06

Polar Surface Area

56.382

Acid Dissociation Constant (pKa)

4.34

Base Dissociation Constant (pKb)

11.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

G857-1887 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 G857-1887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-1887?
Check Price and Availability of G857-1887, 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 G857-1887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-1887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-1887
  • 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 G857-1887 available by request