D692-0562 Screening compound: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-{[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide

D692-0562 Screening compound: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-{[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
D692-0562 Screening compound: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-{[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D692-0562
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-{[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide

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

D692-0562

Molecular Formula

C22H16N6O2S2 (C22 H16 N6 O2 S2)

Compound Name

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-{[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide

IUPAC name

N-(3-cyano-45-dimethylthiophen-2-yl)-2-{[5-(furan-2-yl)-[124]triazolo[43-c]quinazolin-3-yl]sulfanyl}acetamide

SMILES

Cc1c(C)sc(NC(CSc2nnc3n2c(-c2ccco2)nc2c3cccc2)=O)c1C#N

InChI

InChI=1S/C22H16N6O2S2/c1-12-13(2)32-21(15(12)10-23)25-18(29)11-31-22-27-26-19-14-6-3-4-7-16(14)24-20(28(19)22)17-8-5-9-30-17/h3-9H,11H2,1-2H3,(H,25,29)

InChI Key

KYXCSOBVLNRYTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.982

Distribution Coefficient, logD

2.911

Water Solubility, LogSw

-4.29

Polar Surface Area

78.889

Acid Dissociation Constant (pKa)

6.37

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D692-0562 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D692-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D692-0562?
Check Price and Availability of D692-0562, 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 D692-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D692-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D692-0562
  • 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 D692-0562 available by request