C680-0187 Screening compound: 3-(4-chlorophenyl)-N-(4-methylcyclohexyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C680-0187 Screening compound: 3-(4-chlorophenyl)-N-(4-methylcyclohexyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C680-0187 Screening compound: 3-(4-chlorophenyl)-N-(4-methylcyclohexyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0187
3-(4-chlorophenyl)-N-(4-methylcyclohexyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

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

C680-0187

Molecular Formula

C22H22ClN5 (C22 H22 ClN5)

Compound Name

3-(4-chlorophenyl)-N-(4-methylcyclohexyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

3-(4-chlorophenyl)-N-(4-methylcyclohexyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

CC(CC1)CCC1Nc1nc2c(-c(cc3)ccc3Cl)nnn2c2c1cccc2

InChI

InChI=1S/C22H22ClN5/c1-14-6-12-17(13-7-14)24-21-18-4-2-3-5-19(18)28-22(25-21)20(26-27-28)15-8-10-16(23)11-9-15/h2-5,8-11,14,17H,6-7,12-13H2,1H3,(H,24,25)

InChI Key

JKHOZOLMUFDDIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.414

Distribution Coefficient, logD

6.414

Water Solubility, LogSw

-6.74

Polar Surface Area

42.795

Acid Dissociation Constant (pKa)

19.31

Base Dissociation Constant (pKb)

8.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C680-0187 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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

References: we are preparing a list of scientific research reports with C680-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0187?
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What is the minimum amount of C680-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0187
  • 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 C680-0187 available by request