C718-2322 Screening compound: 1-benzyl-4-[7-chloro-3-(4-ethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperazine

C718-2322 Screening compound: 1-benzyl-4-[7-chloro-3-(4-ethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperazine
C718-2322 Screening compound: 1-benzyl-4-[7-chloro-3-(4-ethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-2322
1-benzyl-4-[7-chloro-3-(4-ethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperazine

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

C718-2322

Molecular Formula

C28H27ClN6O2S (C28 H27 ClN6 O2 S)

Compound Name

1-benzyl-4-[7-chloro-3-(4-ethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperazine

IUPAC name

1-benzyl-4-[7-chloro-3-(4-ethylbenzenesulfonyl)-[123]triazolo[15-a]quinazolin-5-yl]piperazine

SMILES

CCc(cc1)ccc1S(c(nnn1c(cc2)c3cc2Cl)c1nc3N1CCN(Cc2ccccc2)CC1)(=O)=O

InChI

InChI=1S/C28H27ClN6O2S/c1-2-20-8-11-23(12-9-20)38(36,37)28-27-30-26(24-18-22(29)10-13-25(24)35(27)32-31-28)34-16-14-33(15-17-34)19-21-6-4-3-5-7-21/h3-13,18H,2,14-17,19H2,1H3

InChI Key

KCJLRCCBHBAWMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.08

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.255

Distribution Coefficient, logD

6.177

Water Solubility, LogSw

-6.13

Polar Surface Area

68.669

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C718-2322 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 C718-2322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-2322?
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What is the minimum amount of C718-2322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-2322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-2322
  • 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 C718-2322 available by request