C718-0112 Screening compound: 3-(4-methylbenzenesulfonyl)-N-(2-methylcyclohexyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-0112 Screening compound: 3-(4-methylbenzenesulfonyl)-N-(2-methylcyclohexyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-0112 Screening compound: 3-(4-methylbenzenesulfonyl)-N-(2-methylcyclohexyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-0112
3-(4-methylbenzenesulfonyl)-N-(2-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

C718-0112

Molecular Formula

C23H25N5O2S (C23 H25 N5 O2 S)

Compound Name

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

IUPAC name

3-(4-methylbenzenesulfonyl)-N-(2-methylcyclohexyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

CC(CCCC1)C1Nc(c(cccc1)c1n1nn2)nc1c2S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C23H25N5O2S/c1-15-11-13-17(14-12-15)31(29,30)23-22-25-21(24-19-9-5-3-7-16(19)2)18-8-4-6-10-20(18)28(22)27-26-23/h4,6,8,10-14,16,19H,3,5,7,9H2,1-2H3,(H,24,25)

InChI Key

UTNSJVOJPANANC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.447

Distribution Coefficient, logD

5.447

Water Solubility, LogSw

-5.64

Polar Surface Area

72.732

Acid Dissociation Constant (pKa)

19.36

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

C718-0112 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C718-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-0112?
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What is the minimum amount of C718-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-0112
  • 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 C718-0112 available by request