C718-0873 Screening compound: 3-(benzenesulfonyl)-7-chloro-N-(4-ethoxyphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-0873 Screening compound: 3-(benzenesulfonyl)-7-chloro-N-(4-ethoxyphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-0873 Screening compound: 3-(benzenesulfonyl)-7-chloro-N-(4-ethoxyphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-0873
3-(benzenesulfonyl)-7-chloro-N-(4-ethoxyphenyl)-[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

C718-0873

Molecular Formula

C23H18ClN5O3S (C23 H18 ClN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1Nc(c(cc(cc1)Cl)c1n1nn2)nc1c2S(c1ccccc1)(=O)=O

InChI

InChI=1S/C23H18ClN5O3S/c1-2-32-17-11-9-16(10-12-17)25-21-19-14-15(24)8-13-20(19)29-22(26-21)23(27-28-29)33(30,31)18-6-4-3-5-7-18/h3-14H,2H2,1H3,(H,25,26)

InChI Key

RQJXBVQGQZXIRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.487

Distribution Coefficient, logD

5.487

Water Solubility, LogSw

-5.93

Polar Surface Area

78.418

Acid Dissociation Constant (pKa)

18.07

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C718-0873 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 C718-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-0873?
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What is the minimum amount of C718-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-0873
  • 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 C718-0873 available by request