C718-2733 Screening compound: 3-(4-bromobenzenesulfonyl)-N-(2-ethylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C718-2733 Screening compound: 3-(4-bromobenzenesulfonyl)-N-(2-ethylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C718-2733 Screening compound: 3-(4-bromobenzenesulfonyl)-N-(2-ethylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-2733
3-(4-bromobenzenesulfonyl)-N-(2-ethylphenyl)-[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

C718-2733

Molecular Formula

C23H18BrN5O2S (C23 H18 BrN5 O2 S)

Compound Name

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

IUPAC name

3-(4-bromobenzenesulfonyl)-N-(2-ethylphenyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

CCc(cccc1)c1Nc(c(cccc1)c1n1nn2)nc1c2S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C23H18BrN5O2S/c1-2-15-7-3-5-9-19(15)25-21-18-8-4-6-10-20(18)29-22(26-21)23(27-28-29)32(30,31)17-13-11-16(24)12-14-17/h3-14H,2H2,1H3,(H,25,26)

InChI Key

OFZLMUNQAJSBHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.247

Distribution Coefficient, logD

6.247

Water Solubility, LogSw

-5.95

Polar Surface Area

70.597

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C718-2733 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C718-2733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-2733?
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What is the minimum amount of C718-2733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-2733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-2733
  • 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 C718-2733 available by request