C656-0248 Screening compound: 3-[(4-chlorophenyl)methyl]-6-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

C656-0248 Screening compound: 3-[(4-chlorophenyl)methyl]-6-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
C656-0248 Screening compound: 3-[(4-chlorophenyl)methyl]-6-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0248
3-[(4-chlorophenyl)methyl]-6-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-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

C656-0248

Molecular Formula

C22H19ClN6O2 (C22 H19 ClN6 O2)

Compound Name

3-[(4-chlorophenyl)methyl]-6-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

IUPAC name

3-[(4-chlorophenyl)methyl]-6-[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]-3H6H7H-[123]triazolo[45-d]pyrimidin-7-one

SMILES

O=C(CN(C=Nc1c2nnn1Cc(cc1)ccc1Cl)C2=O)N(CCC1)c2c1cccc2

InChI

InChI=1S/C22H19ClN6O2/c23-17-9-7-15(8-10-17)12-29-21-20(25-26-29)22(31)27(14-24-21)13-19(30)28-11-3-5-16-4-1-2-6-18(16)28/h1-2,4,6-10,14H,3,5,11-13H2

InChI Key

HHZSFXWTLZAKOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.88

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

2.454

Distribution Coefficient, logD

2.454

Water Solubility, LogSw

-2.86

Polar Surface Area

68.079

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C656-0248 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C656-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0248?
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What is the minimum amount of C656-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0248
  • 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 C656-0248 available by request