D718-1076 Screening compound: 1-(2-{[2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethyl)piperidine

D718-1076 Screening compound: 1-(2-{[2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethyl)piperidine
D718-1076 Screening compound: 1-(2-{[2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1076
1-(2-{[2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethyl)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

D718-1076

Molecular Formula

C22H22ClN5S (C22 H22 ClN5 S)

Compound Name

1-(2-{[2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethyl)piperidine

IUPAC name

1-(2-{[2-(4-chlorophenyl)-[124]triazolo[15-c]quinazolin-5-yl]sulfanyl}ethyl)piperidine

SMILES

Clc(cc1)ccc1-c1nn2c(SCCN3CCCCC3)nc(cccc3)c3c2n1

InChI

InChI=1S/C22H22ClN5S/c23-17-10-8-16(9-11-17)20-25-21-18-6-2-3-7-19(18)24-22(28(21)26-20)29-15-14-27-12-4-1-5-13-27/h2-3,6-11H,1,4-5,12-15H2

InChI Key

UUTUQALHMMXPBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08592755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.320

Distribution Coefficient, logD

3.342

Water Solubility, LogSw

-6.24

Polar Surface Area

33.779

Acid Dissociation Constant (pKa)

24.88

Base Dissociation Constant (pKb)

9.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D718-1076 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D718-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1076?
Check Price and Availability of D718-1076, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D718-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1076
  • 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 D718-1076 available by request