D090-0155 Screening compound: 9-(4-methylphenyl)-1-azatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-trien-9-yl acetate

D090-0155 Screening compound: 9-(4-methylphenyl)-1-azatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-trien-9-yl acetate
D090-0155 Screening compound: 9-(4-methylphenyl)-1-azatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-trien-9-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D090-0155
9-(4-methylphenyl)-1-azatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-trien-9-yl acetate

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

D090-0155

Molecular Formula

C20H21NO2 (C20 H21 NO2)

Compound Name

9-(4-methylphenyl)-1-azatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-trien-9-yl acetate

IUPAC name

9-(4-methylphenyl)-1-azatricyclo[6.2.2.0^{27}]dodeca-2(7)35-trien-9-yl acetate

SMILES

CC(OC1(C(CC2)c(cccc3)c3N2C1)c1ccc(C)cc1)=O

InChI

InChI=1S/C20H22NO2/c1-14-7-9-16(10-8-14)20(23-15(2)22)13-21-12-11-18(20)17-5-3-4-6-19(17)21/h3-10,18,21H,11-13H2,1-2H3

InChI Key

KPSOVSDBEDFEEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02237616

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

307.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.945

Distribution Coefficient, logD

3.944

Water Solubility, LogSw

-3.98

Polar Surface Area

22.251

Acid Dissociation Constant (pKa)

22.74

Base Dissociation Constant (pKb)

6.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

D090-0155 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Agro:
  • Agro
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with D090-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D090-0155?
Check Price and Availability of D090-0155, 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 D090-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D090-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D090-0155
  • 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 D090-0155 available by request