D171-0167 Screening compound: 1-butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one

D171-0167 Screening compound: 1-butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one
D171-0167 Screening compound: 1-butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D171-0167
1-butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-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

D171-0167

Molecular Formula

C12H22N2O (C12 H22 N2 O)

Compound Name

1-butyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one

IUPAC name

1-butyl-5-methyl-37-diazabicyclo[3.3.1]nonan-9-one

SMILES

CCCCC1(CNCC2(C)CNC1)C2=O

InChI

InChI=1S/C12H22N2O/c1-3-4-5-12-8-13-6-11(2,10(12)15)7-14-9-12/h13-14H,3-9H2,1-2H3

InChI Key

KLRNBGWBFNKQRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05993174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.481

Distribution Coefficient, logD

1.393

Water Solubility, LogSw

-1.09

Polar Surface Area

37.143

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

91.70

D171-0167 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Fragments Library (11262 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Structure:
  • Fragments
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with D171-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D171-0167?
Check Price and Availability of D171-0167, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D171-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D171-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D171-0167
  • 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 D171-0167 available by request