G856-6767 Screening compound: 3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

G856-6767 Screening compound: 3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
G856-6767 Screening compound: 3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6767
3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

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

G856-6767

Molecular Formula

C21H17N5O2S (C21 H17 N5 O2 S)

Compound Name

3-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

IUPAC name

3-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-7H8H-[124]triazolo[43-a]pyrimidin-7-one

SMILES

O=C(CSc1nnc(N2)n1C(c1ccccc1)=CC2=O)N(CC1)c2c1cccc2

InChI

InChI=1S/C21H17N5O2S/c27-18-12-17(14-6-2-1-3-7-14)26-20(22-18)23-24-21(26)29-13-19(28)25-11-10-15-8-4-5-9-16(15)25/h1-9,12H,10-11,13H2,(H,22,23,27)

InChI Key

MEZMYPWFOZXYCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06714114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.700

Distribution Coefficient, logD

2.693

Water Solubility, LogSw

-3.15

Polar Surface Area

67.258

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G856-6767 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

BRD4 Targeted Library (4534 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with G856-6767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6767?
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What is the minimum amount of G856-6767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6767
  • 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 G856-6767 available by request