D090-0168 Screening compound: N-[1-(4-bromophenyl)-2-phenylethyl]-1-azabicyclo[2.2.2]octan-3-amine

D090-0168 Screening compound: N-[1-(4-bromophenyl)-2-phenylethyl]-1-azabicyclo[2.2.2]octan-3-amine
D090-0168 Screening compound: N-[1-(4-bromophenyl)-2-phenylethyl]-1-azabicyclo[2.2.2]octan-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D090-0168
N-[1-(4-bromophenyl)-2-phenylethyl]-1-azabicyclo[2.2.2]octan-3-amine

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

D090-0168

Molecular Formula

C21H25BrN2 (C21 H25 BrN2)

Compound Name

N-[1-(4-bromophenyl)-2-phenylethyl]-1-azabicyclo[2.2.2]octan-3-amine

IUPAC name

N-[1-(4-bromophenyl)-2-phenylethyl]-1-azabicyclo[2.2.2]octan-3-amine

SMILES

Brc1ccc(C(Cc2ccccc2)NC2C(CC3)CCN3C2)cc1

InChI

InChI=1S/C21H25BrN2/c22-19-8-6-17(7-9-19)20(14-16-4-2-1-3-5-16)23-21-15-24-12-10-18(21)11-13-24/h1-9,18,20-21,23H,10-15H2

InChI Key

DCJMNODLUBWXRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04189964

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

385.35

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.700

Distribution Coefficient, logD

2.470

Water Solubility, LogSw

-4.53

Polar Surface Area

14.369

Acid Dissociation Constant (pKa)

25.50

Base Dissociation Constant (pKb)

9.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

D090-0168 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D090-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D090-0168?
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What is the minimum amount of D090-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D090-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D090-0168
  • 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 D090-0168 available by request