D461-0021 Screening compound: 6-ethyl-11-isopropyl-6-methyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one

D461-0021 Screening compound: 6-ethyl-11-isopropyl-6-methyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
D461-0021 Screening compound: 6-ethyl-11-isopropyl-6-methyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D461-0021
6-ethyl-11-isopropyl-6-methyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one

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

D461-0021

Molecular Formula

C20H24N4OS (C20 H24 N4 OS)

Compound Name

6-ethyl-11-isopropyl-6-methyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one

IUPAC name

9-ethyl-9-methyl-13-(methylsulfanyl)-15-(propan-2-yl)-12141517-tetraazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(10)2(7)351316-hexaen-11-one

SMILES

CCC(C)(Cc1c2cccc1)C1=C2N=C(N(C(C)C)N=C2SC)N2C1=O

InChI

InChI=1S/C20H24N4OS/c1-6-20(4)11-13-9-7-8-10-14(13)16-15(20)17(25)23-18(21-16)24(12(2)3)22-19(23)26-5/h7-10,12H,6,11H2,1-5H3/t20-/m0/s1

InChI Key

JULUPJPWCQOEMG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14829809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.491

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-4.39

Polar Surface Area

41.753

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with D461-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D461-0021?
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What is the minimum amount of D461-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D461-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D461-0021
  • 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 D461-0021 available by request