D171-0094 Screening compound: 1-{1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl}propan-1-one

D171-0094 Screening compound: 1-{1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl}propan-1-one
D171-0094 Screening compound: 1-{1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D171-0094
1-{1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl}propan-1-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

D171-0094

Molecular Formula

C15H26N2O2 (C15 H26 N2 O2)

Compound Name

1-{1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl}propan-1-one

IUPAC name

1-{15-dimethyl-7-propanoyl-37-diazabicyclo[3.3.1]nonan-3-yl}propan-1-one

SMILES

CCC(N(CC(C)(C1)C2)CC1(C)CN2C(CC)=O)=O

InChI

InChI=1S/C15H26N2O2/c1-5-12(18)16-8-14(3)7-15(4,9-16)11-17(10-14)13(19)6-2/h5-11H2,1-4H3

InChI Key

DQCRHTDYSUGGMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05240960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.806

Distribution Coefficient, logD

1.806

Water Solubility, LogSw

-1.44

Polar Surface Area

32.486

Acid Dissociation Constant (pKa)

24.10

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

86.67

D171-0094 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D171-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D171-0094?
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What is the minimum amount of D171-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D171-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D171-0094
  • 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 D171-0094 available by request