D461-0210 Screening compound: ethyl 2-[(6,6,11-triethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate

D461-0210 Screening compound: ethyl 2-[(6,6,11-triethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate
D461-0210 Screening compound: ethyl 2-[(6,6,11-triethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D461-0210
ethyl 2-[(6,6,11-triethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate

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

D461-0210

Molecular Formula

C23H28N4O3S (C23 H28 N4 O3 S)

Compound Name

ethyl 2-[(6,6,11-triethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate

IUPAC name

ethyl 2-({9915-triethyl-11-oxo-12141517-tetraazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(10)2(7)351316-hexaen-13-yl}sulfanyl)acetate

SMILES

CCC(CC)(Cc1c2cccc1)C1=C2N=C(N(CC)N=C2SCC(OCC)=O)N2C1=O

InChI

InChI=1S/C23H28N4O3S/c1-5-23(6-2)13-15-11-9-10-12-16(15)19-18(23)20(29)27-21(24-19)26(7-3)25-22(27)31-14-17(28)30-8-4/h9-12H,5-8,13-14H2,1-4H3

InChI Key

RSBYIXJVHIOVAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.310

Distribution Coefficient, logD

4.309

Water Solubility, LogSw

-4.30

Polar Surface Area

62.724

Acid Dissociation Constant (pKa)

22.99

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

D461-0210 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 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
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D461-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D461-0210?
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What is the minimum amount of D461-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D461-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D461-0210
  • 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 D461-0210 available by request