C718-0459 Screening compound: N-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-0459 Screening compound: N-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-0459 Screening compound: N-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-0459
N-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylbenzenesulfonyl)-[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

C718-0459

Molecular Formula

C25H22ClN5O2S (C25 H22 ClN5 O2 S)

Compound Name

N-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

N-[(4-chlorophenyl)methyl]-3-(246-trimethylbenzenesulfonyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

Cc(cc1C)cc(C)c1S(c(nnn1c2c3cccc2)c1nc3NCc(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C25H22ClN5O2S/c1-15-12-16(2)22(17(3)13-15)34(32,33)25-24-28-23(27-14-18-8-10-19(26)11-9-18)20-6-4-5-7-21(20)31(24)30-29-25/h4-13H,14H2,1-3H3,(H,27,28)

InChI Key

SFINSRGXKSRJAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.880

Distribution Coefficient, logD

5.880

Water Solubility, LogSw

-6.16

Polar Surface Area

72.617

Acid Dissociation Constant (pKa)

17.20

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C718-0459 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 C718-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-0459?
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What is the minimum amount of C718-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-0459
  • 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 C718-0459 available by request