C656-0623 Screening compound: 3-(4-methoxyphenyl)-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

C656-0623 Screening compound: 3-(4-methoxyphenyl)-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
C656-0623 Screening compound: 3-(4-methoxyphenyl)-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 C656-0623
3-(4-methoxyphenyl)-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

C656-0623

Molecular Formula

C22H20N6O3 (C22 H20 N6 O3)

Compound Name

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

SMILES

COc(cc1)ccc1-n1nnc2c1N=CN(CC(N(CCC1)c3c1cccc3)=O)C2=O

InChI

InChI=1S/C22H20N6O3/c1-31-17-10-8-16(9-11-17)28-21-20(24-25-28)22(30)26(14-23-21)13-19(29)27-12-4-6-15-5-2-3-7-18(15)27/h2-3,5,7-11,14H,4,6,12-13H2,1H3

InChI Key

XPOSBKZKBCQAAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.949

Distribution Coefficient, logD

1.949

Water Solubility, LogSw

-2.39

Polar Surface Area

75.759

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C656-0623 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 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

References: we are preparing a list of scientific research reports with C656-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0623?
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What is the minimum amount of C656-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0623
  • 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 C656-0623 available by request