D718-1077 Screening compound: 4-[5-(prop-2-en-1-ylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]pyridine

D718-1077 Screening compound: 4-[5-(prop-2-en-1-ylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]pyridine
D718-1077 Screening compound: 4-[5-(prop-2-en-1-ylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1077
4-[5-(prop-2-en-1-ylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]pyridine

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

D718-1077

Molecular Formula

C17H13N5S (C17 H13 N5 S)

Compound Name

4-[5-(prop-2-en-1-ylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]pyridine

IUPAC name

4-[5-(prop-2-en-1-ylsulfanyl)-[124]triazolo[15-c]quinazolin-2-yl]pyridine

SMILES

C=CCSc1nc(cccc2)c2c2nc(-c3ccncc3)nn12

InChI

InChI=1S/C17H13N5S/c1-2-11-23-17-19-14-6-4-3-5-13(14)16-20-15(21-22(16)17)12-7-9-18-10-8-12/h2-10H,1,11H2

InChI Key

CUSQBTKAHOQFHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08723756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.665

Distribution Coefficient, logD

3.664

Water Solubility, LogSw

-4.10

Polar Surface Area

39.497

Acid Dissociation Constant (pKa)

27.14

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

D718-1077 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D718-1077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1077?
Check Price and Availability of D718-1077, 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 D718-1077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1077
  • 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 D718-1077 available by request