D171-0093 Screening compound: 1-{7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl}ethan-1-one

D171-0093 Screening compound: 1-{7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl}ethan-1-one
D171-0093 Screening compound: 1-{7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D171-0093
1-{7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl}ethan-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

D171-0093

Molecular Formula

C13H22N2O2 (C13 H22 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(CC(C)(C1)C2)(CN1C(C)=O)CN2C(C)=O

InChI

InChI=1S/C13H22N2O2/c1-10(16)14-6-12(3)5-13(4,7-14)9-15(8-12)11(2)17/h5-9H2,1-4H3

InChI Key

SAEOBLSPCWUOCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00436207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.745

Distribution Coefficient, logD

0.745

Water Solubility, LogSw

-0.49

Polar Surface Area

34.476

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

84.62

D171-0093 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D171-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D171-0093?
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What is the minimum amount of D171-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D171-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D171-0093
  • 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 D171-0093 available by request