3970-0923 Screening compound: 4-(3-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

3970-0923 Screening compound: 4-(3-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione
3970-0923 Screening compound: 4-(3-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3970-0923
4-(3-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

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

3970-0923

Molecular Formula

C17H17NO2 (C17 H17 NO2)

Compound Name

4-(3-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

IUPAC name

4-(3-methylphenyl)-4-azatricyclo[5.2.2.0^{26}]undec-8-ene-35-dione

SMILES

Cc1cccc(N(C(C2C(CC3)C=CC3C22)=O)C2=O)c1

InChI

InChI=1S/C17H17NO2/c1-10-3-2-4-13(9-10)18-16(19)14-11-5-6-12(8-7-11)15(14)17(18)20/h2-6,9,11-12,14-15H,7-8H2,1H3

InChI Key

RVCXNTANVXVQIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00750662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.468

Distribution Coefficient, logD

2.468

Water Solubility, LogSw

-2.54

Polar Surface Area

28.993

Acid Dissociation Constant (pKa)

17.46

Base Dissociation Constant (pKb)

-5.61

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

41.20

3970-0923 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3970-0923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3970-0923?
Check Price and Availability of 3970-0923, 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 3970-0923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3970-0923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3970-0923
  • 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 3970-0923 available by request