D461-0151 Screening compound: 6-ethyl-9-(isobutylsulfanyl)-6,11-dimethyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one

D461-0151 Screening compound: 6-ethyl-9-(isobutylsulfanyl)-6,11-dimethyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
D461-0151 Screening compound: 6-ethyl-9-(isobutylsulfanyl)-6,11-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 D461-0151
6-ethyl-9-(isobutylsulfanyl)-6,11-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

D461-0151

Molecular Formula

C21H26N4OS (C21 H26 N4 OS)

Compound Name

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

IUPAC name

9-ethyl-915-dimethyl-13-[(2-methylpropyl)sulfanyl]-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)N=C2SCC(C)C)N2C1=O

InChI

InChI=1S/C21H26N4OS/c1-6-21(4)11-14-9-7-8-10-15(14)17-16(21)18(26)25-19(22-17)24(5)23-20(25)27-12-13(2)3/h7-10,13H,6,11-12H2,1-5H3/t21-/m0/s1

InChI Key

WSNVKDBJLNKCHS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14829874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.53

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

4.691

Distribution Coefficient, logD

4.671

Water Solubility, LogSw

-4.51

Polar Surface Area

42.519

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

6.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with D461-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D461-0151?
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What is the minimum amount of D461-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D461-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D461-0151
  • 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 D461-0151 available by request