D318-0692 Screening compound: 1-methyl-9-oxo-N3,N7-diphenyl-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide

D318-0692 Screening compound: 1-methyl-9-oxo-N3,N7-diphenyl-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide
D318-0692 Screening compound: 1-methyl-9-oxo-N3,N7-diphenyl-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D318-0692
1-methyl-9-oxo-N3,N7-diphenyl-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide

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

D318-0692

Molecular Formula

C25H30N4OS2 (C25 H30 N4 OS2)

Compound Name

1-methyl-9-oxo-N3,N7-diphenyl-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide

IUPAC name

1-methyl-9-oxo-N3N7-diphenyl-5-propyl-37-diazabicyclo[3.3.1]nonane-37-dicarbothioamide

SMILES

CCCC(CN(CC1(C)C2)C(Nc3ccccc3)=S)(CN2C(Nc2ccccc2)=S)C1=O

InChI

InChI=1S/C25H30N4OS2/c1-3-14-25-17-28(22(31)26-19-10-6-4-7-11-19)15-24(2,21(25)30)16-29(18-25)23(32)27-20-12-8-5-9-13-20/h4-13H,3,14-18H2,1-2H3,(H,26,31)(H,27,32)

InChI Key

AVRZOGVJZQKVLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05993187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.315

Distribution Coefficient, logD

5.315

Water Solubility, LogSw

-5.21

Polar Surface Area

34.644

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D318-0692 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D318-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D318-0692?
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What is the minimum amount of D318-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D318-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D318-0692
  • 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 D318-0692 available by request