D461-0150 Screening compound: 9-(isobutylsulfanyl)-6,6,11-trimethyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one

D461-0150 Screening compound: 9-(isobutylsulfanyl)-6,6,11-trimethyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
D461-0150 Screening compound: 9-(isobutylsulfanyl)-6,6,11-trimethyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D461-0150
9-(isobutylsulfanyl)-6,6,11-trimethyl-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

D461-0150

Molecular Formula

C20H24N4OS (C20 H24 N4 OS)

Compound Name

9-(isobutylsulfanyl)-6,6,11-trimethyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one

IUPAC name

9915-trimethyl-13-[(2-methylpropyl)sulfanyl]-12141517-tetraazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(10)2(7)351316-hexaen-11-one

SMILES

CC(C)CSC(N12)=NN(C)C2=NC(c2c(CC3(C)C)cccc2)=C3C1=O

InChI

InChI=1S/C20H24N4OS/c1-12(2)11-26-19-22-23(5)18-21-16-14-9-7-6-8-13(14)10-20(3,4)15(16)17(25)24(18)19/h6-9,12H,10-11H2,1-5H3

InChI Key

KTCHZBDINJZGGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588086

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

4.501

Distribution Coefficient, logD

4.463

Water Solubility, LogSw

-4.43

Polar Surface Area

42.519

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

D461-0150 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D461-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D461-0150?
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What is the minimum amount of D461-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D461-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D461-0150
  • 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 D461-0150 available by request