D461-0212 Screening compound: 2-[(6,11-diethyl-6-methyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N~1~,N~1~-diethylacetamide

D461-0212 Screening compound: 2-[(6,11-diethyl-6-methyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N~1~,N~1~-diethylacetamide
D461-0212 Screening compound: 2-[(6,11-diethyl-6-methyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N~1~,N~1~-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D461-0212
2-[(6,11-diethyl-6-methyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N~1~,N~1~-diethylacetamide

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

D461-0212

Molecular Formula

C24H31N5O2S (C24 H31 N5 O2 S)

Compound Name

2-[(6,11-diethyl-6-methyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N~1~,N~1~-diethylacetamide

IUPAC name

2-({915-diethyl-9-methyl-11-oxo-12141517-tetraazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(10)2(7)351316-hexaen-13-yl}sulfanyl)-NN-diethylacetamide

SMILES

CCC(C)(Cc1c2cccc1)C1=C2N=C(N(CC)N=C2SCC(N(CC)CC)=O)N2C1=O

InChI

InChI=1S/C24H31N5O2S/c1-6-24(5)14-16-12-10-11-13-17(16)20-19(24)21(31)29-22(25-20)28(9-4)26-23(29)32-15-18(30)27(7-2)8-3/h10-13H,6-9,14-15H2,1-5H3/t24-/m0/s1

InChI Key

LEPNZNGIXWYPRU-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14829896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.867

Distribution Coefficient, logD

3.865

Water Solubility, LogSw

-3.85

Polar Surface Area

57.970

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with D461-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D461-0212?
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What is the minimum amount of D461-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D461-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D461-0212
  • 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 D461-0212 available by request