0364-0016 Screening compound: (1R,7S)-4-phenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

0364-0016 Screening compound: (1R,7S)-4-phenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
0364-0016 Screening compound: (1R,7S)-4-phenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0364-0016
(1R,7S)-4-phenyl-4-azatricyclo[5.2.1.0~2,6~]dec-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

0364-0016

Molecular Formula

C15H13NO2 (C15 H13 NO2)

Compound Name

(1R,7S)-4-phenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

(1R7S)-4-phenyl-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

O=C(C([C@@H]1C=C[C@H]2C1)C2C1=O)N1c1ccccc1

InChI

InChI=1S/C15H13NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h1-7,9-10,12-13H,8H2/t9-,10-,12?,13?/m0/s1

InChI Key

GAONUEUNHBLHPP-WPMGSTCASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.27

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

1.481

Distribution Coefficient, logD

1.481

Water Solubility, LogSw

-1.73

Polar Surface Area

29.725

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

-5.71

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

33.30

0364-0016 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 0364-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0364-0016?
Check Price and Availability of 0364-0016, 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 0364-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0364-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0364-0016
  • 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 0364-0016 available by request