C718-1378 Screening compound: 7-chloro-3-(4-ethylbenzenesulfonyl)-N-(3-methylbutyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-1378 Screening compound: 7-chloro-3-(4-ethylbenzenesulfonyl)-N-(3-methylbutyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-1378 Screening compound: 7-chloro-3-(4-ethylbenzenesulfonyl)-N-(3-methylbutyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-1378
7-chloro-3-(4-ethylbenzenesulfonyl)-N-(3-methylbutyl)-[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

C718-1378

Molecular Formula

C22H24ClN5O2S (C22 H24 ClN5 O2 S)

Compound Name

7-chloro-3-(4-ethylbenzenesulfonyl)-N-(3-methylbutyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

7-chloro-3-(4-ethylbenzenesulfonyl)-N-(3-methylbutyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

CCc(cc1)ccc1S(c(nnn1c(cc2)c3cc2Cl)c1nc3NCCC(C)C)(=O)=O

InChI

InChI=1S/C22H24ClN5O2S/c1-4-15-5-8-17(9-6-15)31(29,30)22-21-25-20(24-12-11-14(2)3)18-13-16(23)7-10-19(18)28(21)27-26-22/h5-10,13-14H,4,11-12H2,1-3H3,(H,24,25)

InChI Key

PYTXFDODVPXFMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.253

Distribution Coefficient, logD

6.253

Water Solubility, LogSw

-6.26

Polar Surface Area

72.730

Acid Dissociation Constant (pKa)

17.91

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C718-1378 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C718-1378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-1378?
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What is the minimum amount of C718-1378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-1378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-1378
  • 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 C718-1378 available by request