G857-1697 Screening compound: 5-({1,4-dioxa-8-azaspiro[4.5]decan-8-yl}(phenyl)methyl)-2-(furan-2-yl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol

G857-1697 Screening compound: 5-({1,4-dioxa-8-azaspiro[4.5]decan-8-yl}(phenyl)methyl)-2-(furan-2-yl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol
G857-1697 Screening compound: 5-({1,4-dioxa-8-azaspiro[4.5]decan-8-yl}(phenyl)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 G857-1697
5-({1,4-dioxa-8-azaspiro[4.5]decan-8-yl}(phenyl)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

G857-1697

Molecular Formula

C22H22N4O4S (C22 H22 N4 O4 S)

Compound Name

5-({1,4-dioxa-8-azaspiro[4.5]decan-8-yl}(phenyl)methyl)-2-(furan-2-yl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol

IUPAC name

5-({14-dioxa-8-azaspiro[4.5]decan-8-yl}(phenyl)methyl)-2-(furan-2-yl)-[124]triazolo[32-b][13]thiazol-6-ol

SMILES

Oc1c(C(c2ccccc2)N(CC2)CCC22OCCO2)sc2nc(-c3ccco3)nn12

InChI

InChI=1S/C22H22N4O4S/c27-20-18(31-21-23-19(24-26(20)21)16-7-4-12-28-16)17(15-5-2-1-3-6-15)25-10-8-22(9-11-25)29-13-14-30-22/h1-7,12,17,27H,8-11,13-14H2/t17-/m1/s1

InChI Key

CODXVIRYHPPVKH-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06749011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.002

Distribution Coefficient, logD

3.002

Water Solubility, LogSw

-3.05

Polar Surface Area

62.909

Acid Dissociation Constant (pKa)

4.34

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

G857-1697 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GPCR Targeted Library (31838 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
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G857-1697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-1697?
Check Price and Availability of G857-1697, 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 G857-1697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-1697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-1697
  • 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 G857-1697 available by request