D090-0158 Screening compound: {1-azabicyclo[2.2.2]octan-3-yl}bis(3,4-dimethylphenyl)methanol

D090-0158 Screening compound: {1-azabicyclo[2.2.2]octan-3-yl}bis(3,4-dimethylphenyl)methanol
D090-0158 Screening compound: {1-azabicyclo[2.2.2]octan-3-yl}bis(3,4-dimethylphenyl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound D090-0158
{1-azabicyclo[2.2.2]octan-3-yl}bis(3,4-dimethylphenyl)methanol

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

D090-0158

Molecular Formula

C24H31NO (C24 H31 NO)

Compound Name

{1-azabicyclo[2.2.2]octan-3-yl}bis(3,4-dimethylphenyl)methanol

IUPAC name

{1-azabicyclo[2.2.2]octan-3-yl}bis(34-dimethylphenyl)methanol

SMILES

Cc1c(C)cc(C(C2C(CC3)CCN3C2)(c2cc(C)c(C)cc2)O)cc1

InChI

InChI=1S/C24H31NO/c1-16-5-7-21(13-18(16)3)24(26,22-8-6-17(2)19(4)14-22)23-15-25-11-9-20(23)10-12-25/h5-8,13-14,20,23,26H,9-12,15H2,1-4H3/t23-/m0/s1

InChI Key

AIEOARPRTKSOKM-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14811749

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

349.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.796

Distribution Coefficient, logD

3.254

Water Solubility, LogSw

-5.44

Polar Surface Area

18.056

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D090-0158 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS targets activity set (6557 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D090-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D090-0158?
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What is the minimum amount of D090-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D090-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D090-0158
  • 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 D090-0158 available by request