G857-1889 Screening compound: 2-(furan-2-yl)-5-[(3-methoxyphenyl)(4-methylpiperidin-1-yl)methyl]-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol

G857-1889 Screening compound: 2-(furan-2-yl)-5-[(3-methoxyphenyl)(4-methylpiperidin-1-yl)methyl]-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol
G857-1889 Screening compound: 2-(furan-2-yl)-5-[(3-methoxyphenyl)(4-methylpiperidin-1-yl)methyl]-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-1889
2-(furan-2-yl)-5-[(3-methoxyphenyl)(4-methylpiperidin-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

G857-1889

Molecular Formula

C22H24N4O3S (C22 H24 N4 O3 S)

Compound Name

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

IUPAC name

2-(furan-2-yl)-5-[(3-methoxyphenyl)(4-methylpiperidin-1-yl)methyl]-[124]triazolo[32-b][13]thiazol-6-ol

SMILES

CC(CC1)CCN1C(c(sc1nc(-c2ccco2)nn11)c1O)c1cc(OC)ccc1

InChI

InChI=1S/C22H24N4O3S/c1-14-8-10-25(11-9-14)18(15-5-3-6-16(13-15)28-2)19-21(27)26-22(30-19)23-20(24-26)17-7-4-12-29-17/h3-7,12-14,18,27H,8-11H2,1-2H3/t18-/m1/s1

InChI Key

BOIDSQFTZDIFON-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06749174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

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

4.022

Distribution Coefficient, logD

4.022

Water Solubility, LogSw

-4.14

Polar Surface Area

56.016

Acid Dissociation Constant (pKa)

4.34

Base Dissociation Constant (pKb)

10.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

G857-1889 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G857-1889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-1889?
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What is the minimum amount of G857-1889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-1889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-1889
  • 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 G857-1889 available by request