D461-0325 Screening compound: 11-isobutyl-9-(isopropylsulfanyl)-6,6-dimethyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one

D461-0325 Screening compound: 11-isobutyl-9-(isopropylsulfanyl)-6,6-dimethyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
D461-0325 Screening compound: 11-isobutyl-9-(isopropylsulfanyl)-6,6-dimethyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D461-0325
11-isobutyl-9-(isopropylsulfanyl)-6,6-dimethyl-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

D461-0325

Molecular Formula

C22H28N4OS (C22 H28 N4 OS)

Compound Name

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

IUPAC name

99-dimethyl-15-(2-methylpropyl)-13-(propan-2-ylsulfanyl)-12141517-tetraazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(10)2(7)351316-hexaen-11-one

SMILES

CC(C)CN(C(N12)=NC(c3c(CC4(C)C)cccc3)=C4C1=O)N=C2SC(C)C

InChI

InChI=1S/C22H28N4OS/c1-13(2)12-25-20-23-18-16-10-8-7-9-15(16)11-22(5,6)17(18)19(27)26(20)21(24-25)28-14(3)4/h7-10,13-14H,11-12H2,1-6H3

InChI Key

HIUIPTYXAJGENS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.419

Distribution Coefficient, logD

5.404

Water Solubility, LogSw

-5.45

Polar Surface Area

42.840

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with D461-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D461-0325?
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What is the minimum amount of D461-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D461-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D461-0325
  • 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 D461-0325 available by request