D461-0193 Screening compound: ethyl 2-[(6-ethyl-6,11-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate

D461-0193 Screening compound: ethyl 2-[(6-ethyl-6,11-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate
D461-0193 Screening compound: ethyl 2-[(6-ethyl-6,11-dimethyl-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 D461-0193
ethyl 2-[(6-ethyl-6,11-dimethyl-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

D461-0193

Molecular Formula

C21H24N4O3S (C21 H24 N4 O3 S)

Compound Name

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

IUPAC name

ethyl 2-({9-ethyl-915-dimethyl-11-oxo-12141517-tetraazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(10)2(7)351316-hexaen-13-yl}sulfanyl)acetate

SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-5-21(3)11-13-9-7-8-10-14(13)17-16(21)18(27)25-19(22-17)24(4)23-20(25)29-12-15(26)28-6-2/h7-10H,5-6,11-12H2,1-4H3/t21-/m0/s1

InChI Key

GOJMVKSCFJBRLE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14829892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.527

Distribution Coefficient, logD

3.525

Water Solubility, LogSw

-3.58

Polar Surface Area

62.678

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

D461-0193 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D461-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D461-0193?
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What is the minimum amount of D461-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D461-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D461-0193
  • 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 D461-0193 available by request