C656-0173 Screening compound: 6-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3-[(2-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

C656-0173 Screening compound: 6-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3-[(2-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
C656-0173 Screening compound: 6-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3-[(2-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0173
6-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3-[(2-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]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

C656-0173

Molecular Formula

C21H17FN6O2 (C21 H17 FN6 O2)

Compound Name

6-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3-[(2-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

IUPAC name

6-[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]-3-[(2-fluorophenyl)methyl]-3H6H7H-[123]triazolo[45-d]pyrimidin-7-one

SMILES

O=C(CN(C=Nc1c2nnn1Cc(cccc1)c1F)C2=O)N(CC1)c2c1cccc2

InChI

InChI=1S/C21H17FN6O2/c22-16-7-3-1-6-15(16)11-28-20-19(24-25-28)21(30)26(13-23-20)12-18(29)27-10-9-14-5-2-4-8-17(14)27/h1-8,13H,9-12H2

InChI Key

NSCHGEYOWZIQOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04470976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.837

Distribution Coefficient, logD

1.837

Water Solubility, LogSw

-2.07

Polar Surface Area

68.445

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C656-0173 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C656-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0173?
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What is the minimum amount of C656-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0173
  • 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 C656-0173 available by request