C718-0857 Screening compound: 3-(benzenesulfonyl)-7-chloro-N-(3-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-0857 Screening compound: 3-(benzenesulfonyl)-7-chloro-N-(3-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-0857 Screening compound: 3-(benzenesulfonyl)-7-chloro-N-(3-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-0857
3-(benzenesulfonyl)-7-chloro-N-(3-methylphenyl)-[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

C718-0857

Molecular Formula

C22H16ClN5O2S (C22 H16 ClN5 O2 S)

Compound Name

3-(benzenesulfonyl)-7-chloro-N-(3-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

3-(benzenesulfonyl)-7-chloro-N-(3-methylphenyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

Cc1cccc(Nc(c(cc(cc2)Cl)c2n2nn3)nc2c3S(c2ccccc2)(=O)=O)c1

InChI

InChI=1S/C22H16ClN5O2S/c1-14-6-5-7-16(12-14)24-20-18-13-15(23)10-11-19(18)28-21(25-20)22(26-27-28)31(29,30)17-8-3-2-4-9-17/h2-13H,1H3,(H,24,25)

InChI Key

UEZLWEAEPVRVNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.92

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

5.478

Distribution Coefficient, logD

5.478

Water Solubility, LogSw

-5.98

Polar Surface Area

71.295

Acid Dissociation Constant (pKa)

18.57

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

C718-0857 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 C718-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-0857?
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What is the minimum amount of C718-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-0857
  • 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 C718-0857 available by request