D692-0182 Screening compound: 2-{[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

D692-0182 Screening compound: 2-{[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
D692-0182 Screening compound: 2-{[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D692-0182
2-{[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)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

D692-0182

Molecular Formula

C21H16N6O2S2 (C21 H16 N6 O2 S2)

Compound Name

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

IUPAC name

2-{[5-(4-methoxyphenyl)-[124]triazolo[43-c]quinazolin-3-yl]sulfanyl}-N-(13-thiazol-2-yl)acetamide

SMILES

COc(cc1)ccc1-c(n12)nc(cccc3)c3c2nnc1SCC(Nc1nccs1)=O

InChI

InChI=1S/C21H16N6O2S2/c1-29-14-8-6-13(7-9-14)18-23-16-5-3-2-4-15(16)19-25-26-21(27(18)19)31-12-17(28)24-20-22-10-11-30-20/h2-11H,12H2,1H3,(H,22,24,28)

InChI Key

IIRLTTBXQIRTND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.53

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

4.008

Distribution Coefficient, logD

4.005

Water Solubility, LogSw

-4.16

Polar Surface Area

71.482

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D692-0182 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Akt-Targeted Library (14764 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with D692-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D692-0182?
Check Price and Availability of D692-0182, 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 D692-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D692-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D692-0182
  • 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 D692-0182 available by request