C718-2682 Screening compound: 4-benzyl-1-[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidine

C718-2682 Screening compound: 4-benzyl-1-[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidine
C718-2682 Screening compound: 4-benzyl-1-[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-2682
4-benzyl-1-[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidine

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

C718-2682

Molecular Formula

C27H24BrN5O2S (C27 H24 BrN5 O2 S)

Compound Name

4-benzyl-1-[3-(4-bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidine

IUPAC name

4-benzyl-1-[3-(4-bromobenzenesulfonyl)-[123]triazolo[15-a]quinazolin-5-yl]piperidine

SMILES

O=S(c(nnn1c2c3cccc2)c1nc3N1CCC(Cc2ccccc2)CC1)(c(cc1)ccc1Br)=O

InChI

InChI=1S/C27H24BrN5O2S/c28-21-10-12-22(13-11-21)36(34,35)27-26-29-25(23-8-4-5-9-24(23)33(26)31-30-27)32-16-14-20(15-17-32)18-19-6-2-1-3-7-19/h1-13,20H,14-18H2

InChI Key

FBXAESMBCZPYAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06751279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.013

Distribution Coefficient, logD

7.013

Water Solubility, LogSw

-6.53

Polar Surface Area

64.857

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

6.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C718-2682 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C718-2682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-2682?
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What is the minimum amount of C718-2682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-2682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-2682
  • 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 C718-2682 available by request