D461-0025 Screening compound: 11-butyl-6-ethyl-9-(ethylsulfanyl)-6-methyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of ChemDiv screening compound D461-0025
11-butyl-6-ethyl-9-(ethylsulfanyl)-6-methyl-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
D461-0025
Molecular Formula
C22H28N4OS (C22 H28 N4 OS)
Compound Name
11-butyl-6-ethyl-9-(ethylsulfanyl)-6-methyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
IUPAC name
15-butyl-9-ethyl-13-(ethylsulfanyl)-9-methyl-12141517-tetraazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(10)2(7)351316-hexaen-11-one
SMILES
CCCCN(C(N12)=NC(c3c(CC4(C)CC)cccc3)=C4C1=O)N=C2SCC
InChI Key
MDL Number (MFCD)
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
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.272
Distribution Coefficient, logD
5.269
Water Solubility, LogSw
-5.06
Polar Surface Area
42.818
Acid Dissociation Constant (pKa)
23.28
Base Dissociation Constant (pKb)
5.28
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
50.00
References: we are preparing a list of scientific research reports with D461-0025 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)