C718-0841 Screening compound: 3-(2,5-dimethylbenzenesulfonyl)-N-(2,4-dimethylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-0841 Screening compound: 3-(2,5-dimethylbenzenesulfonyl)-N-(2,4-dimethylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-0841 Screening compound: 3-(2,5-dimethylbenzenesulfonyl)-N-(2,4-dimethylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-0841
3-(2,5-dimethylbenzenesulfonyl)-N-(2,4-dimethylphenyl)-[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

C718-0841

Molecular Formula

C25H23N5O2S (C25 H23 N5 O2 S)

Compound Name

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

IUPAC name

3-(25-dimethylbenzenesulfonyl)-N-(24-dimethylphenyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

Cc(cc1)cc(C)c1Nc(c(cccc1)c1n1nn2)nc1c2S(c1c(C)ccc(C)c1)(=O)=O

InChI

InChI=1S/C25H23N5O2S/c1-15-10-12-20(18(4)13-15)26-23-19-7-5-6-8-21(19)30-24(27-23)25(28-29-30)33(31,32)22-14-16(2)9-11-17(22)3/h5-14H,1-4H3,(H,26,27)

InChI Key

HBVJUPPZLDRFDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.56

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

5.997

Distribution Coefficient, logD

5.997

Water Solubility, LogSw

-5.78

Polar Surface Area

70.597

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C718-0841 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C718-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-0841?
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What is the minimum amount of C718-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-0841
  • 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 C718-0841 available by request