C718-0987 Screening compound: 1-[3-(4-ethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidine

C718-0987 Screening compound: 1-[3-(4-ethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidine
C718-0987 Screening compound: 1-[3-(4-ethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-0987
1-[3-(4-ethylbenzenesulfonyl)-[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

C718-0987

Molecular Formula

C22H23N5O2S (C22 H23 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1S(c(nnn1c2c3cccc2)c1nc3N1CCCCC1)(=O)=O

InChI

InChI=1S/C22H23N5O2S/c1-2-16-10-12-17(13-11-16)30(28,29)22-21-23-20(26-14-6-3-7-15-26)18-8-4-5-9-19(18)27(21)25-24-22/h4-5,8-13H,2-3,6-7,14-15H2,1H3

InChI Key

VSHDKJMNKBBZCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.139

Distribution Coefficient, logD

5.139

Water Solubility, LogSw

-5.20

Polar Surface Area

65.128

Acid Dissociation Constant (pKa)

21.70

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C718-0987 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 C718-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-0987?
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What is the minimum amount of C718-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-0987
  • 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 C718-0987 available by request