2267-0401 Screening compound: 4-[4-(1-naphthyloxy)phenyl]-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione

2267-0401 Screening compound: 4-[4-(1-naphthyloxy)phenyl]-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
2267-0401 Screening compound: 4-[4-(1-naphthyloxy)phenyl]-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2267-0401
4-[4-(1-naphthyloxy)phenyl]-4-azatricyclo[5.2.1.0~2,6~]decane-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

2267-0401

Molecular Formula

C25H21NO3 (C25 H21 NO3)

Compound Name

4-[4-(1-naphthyloxy)phenyl]-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione

IUPAC name

4-[4-(naphthalen-1-yloxy)phenyl]-4-azatricyclo[5.2.1.0^{26}]decane-35-dione

SMILES

O=C(C(C1CC2CC1)C2C1=O)N1c(cc1)ccc1Oc1cccc2ccccc12

InChI

InChI=1S/C25H21NO3/c27-24-22-16-8-9-17(14-16)23(22)25(28)26(24)18-10-12-19(13-11-18)29-21-7-3-5-15-4-1-2-6-20(15)21/h1-7,10-13,16-17,22-23H,8-9,14H2

InChI Key

DXWNEBLAIMZSMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01616463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.418

Distribution Coefficient, logD

4.418

Water Solubility, LogSw

-4.67

Polar Surface Area

36.287

Acid Dissociation Constant (pKa)

17.54

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

28.00

2267-0401 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 2267-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2267-0401?
Check Price and Availability of 2267-0401, 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 2267-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2267-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2267-0401
  • 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 2267-0401 available by request