0584-0059 Screening compound: 17-(3-phenoxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

0584-0059 Screening compound: 17-(3-phenoxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
0584-0059 Screening compound: 17-(3-phenoxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0584-0059
17-(3-phenoxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-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

0584-0059

Molecular Formula

C30H21NO3 (C30 H21 NO3)

Compound Name

17-(3-phenoxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

IUPAC name

17-(3-phenoxyphenyl)-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-24691113-hexaene-1618-dione

SMILES

O=C(C(C(C1c2c3cccc2)C2=O)C3c3c1cccc3)N2c1cc(Oc2ccccc2)ccc1

InChI

InChI=1S/C30H21NO3/c32-29-27-25-21-13-4-5-14-22(21)26(24-16-7-6-15-23(24)25)28(27)30(33)31(29)18-9-8-12-20(17-18)34-19-10-2-1-3-11-19/h1-17,25-28H

InChI Key

FATARFJJBKFUSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00320928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

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

5.373

Distribution Coefficient, logD

5.373

Water Solubility, LogSw

-5.85

Polar Surface Area

35.197

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-9.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.30

0584-0059 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0584-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0584-0059?
Check Price and Availability of 0584-0059, 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 0584-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0584-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0584-0059
  • 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 0584-0059 available by request