6150-0024 Screening compound: 12-butyl-9-(butylsulfanyl)-6,6-dimethyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one

6150-0024 Screening compound: 12-butyl-9-(butylsulfanyl)-6,6-dimethyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6150-0024 Screening compound: 12-butyl-9-(butylsulfanyl)-6,6-dimethyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6150-0024
12-butyl-9-(butylsulfanyl)-6,6-dimethyl-6,12-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

6150-0024

Molecular Formula

C23H30N4OS (C23 H30 N4 OS)

Compound Name

12-butyl-9-(butylsulfanyl)-6,6-dimethyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one

IUPAC name

17-butyl-13-(butylsulfanyl)-99-dimethyl-12141517-tetraazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(10)2(7)351315-hexaen-11-one

SMILES

CCCCN(c(n12)nnc2SCCCC)C(c2c(CC3(C)C)cccc2)=C3C1=O

InChI

InChI=1S/C23H30N4OS/c1-5-7-13-26-19-17-12-10-9-11-16(17)15-23(3,4)18(19)20(28)27-21(26)24-25-22(27)29-14-8-6-2/h9-12H,5-8,13-15H2,1-4H3

InChI Key

CLCFSKSTYMJKCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04017428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.152

Distribution Coefficient, logD

6.152

Water Solubility, LogSw

-5.43

Polar Surface Area

39.988

Acid Dissociation Constant (pKa)

22.99

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

References: we are preparing a list of scientific research reports with 6150-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6150-0024?
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What is the minimum amount of 6150-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6150-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6150-0024
  • 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 6150-0024 available by request