C718-0821 Screening compound: 3-(2,5-dimethylbenzenesulfonyl)-N-(2-methoxyphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-0821 Screening compound: 3-(2,5-dimethylbenzenesulfonyl)-N-(2-methoxyphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-0821 Screening compound: 3-(2,5-dimethylbenzenesulfonyl)-N-(2-methoxyphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-0821
3-(2,5-dimethylbenzenesulfonyl)-N-(2-methoxyphenyl)-[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

C718-0821

Molecular Formula

C24H21N5O3S (C24 H21 N5 O3 S)

Compound Name

3-(2,5-dimethylbenzenesulfonyl)-N-(2-methoxyphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

3-(25-dimethylbenzenesulfonyl)-N-(2-methoxyphenyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

Cc1cc(S(c(nnn2c3c4cccc3)c2nc4Nc(cccc2)c2OC)(=O)=O)c(C)cc1

InChI

InChI=1S/C24H21N5O3S/c1-15-12-13-16(2)21(14-15)33(30,31)24-23-26-22(25-18-9-5-7-11-20(18)32-3)17-8-4-6-10-19(17)29(23)28-27-24/h4-14H,1-3H3,(H,25,26)

InChI Key

UZOKFPLVGQDSKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.267

Distribution Coefficient, logD

5.267

Water Solubility, LogSw

-5.48

Polar Surface Area

78.227

Acid Dissociation Constant (pKa)

17.85

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C718-0821 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C718-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-0821?
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What is the minimum amount of C718-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-0821
  • 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 C718-0821 available by request