0584-0095 Screening compound: 3-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N~1~-(2-naphthyl)benzamide

0584-0095 Screening compound: 3-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N~1~-(2-naphthyl)benzamide
0584-0095 Screening compound: 3-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N~1~-(2-naphthyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0584-0095
3-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N~1~-(2-naphthyl)benzamide

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

0584-0095

Molecular Formula

C35H24N2O3 (C35 H24 N2 O3)

Compound Name

3-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N~1~-(2-naphthyl)benzamide

IUPAC name

3-{1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-24691113-hexaen-17-yl}-N-(naphthalen-2-yl)benzamide

SMILES

O=C(c1cccc(N(C(C(C2C3c4c5cccc4)C5c4c3cccc4)=O)C2=O)c1)Nc1cc2ccccc2cc1

InChI

InChI=1S/C35H24N2O3/c38-33(36-23-17-16-20-8-1-2-9-21(20)18-23)22-10-7-11-24(19-22)37-34(39)31-29-25-12-3-4-13-26(25)30(32(31)35(37)40)28-15-6-5-14-27(28)29/h1-19,29-32H,(H,36,38)

InChI Key

UFAUHQVXVFIOOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00311579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.748

Distribution Coefficient, logD

5.747

Water Solubility, LogSw

-6.83

Polar Surface Area

51.269

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

11.40

0584-0095 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 0584-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0584-0095?
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What is the minimum amount of 0584-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0584-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0584-0095
  • 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 0584-0095 available by request