2796-0009 Screening compound: 17-(4-methylphenyl)-15-phenyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

2796-0009 Screening compound: 17-(4-methylphenyl)-15-phenyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione
2796-0009 Screening compound: 17-(4-methylphenyl)-15-phenyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2796-0009
17-(4-methylphenyl)-15-phenyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-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

2796-0009

Molecular Formula

C31H23NO2 (C31 H23 NO2)

Compound Name

17-(4-methylphenyl)-15-phenyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

IUPAC name

17-(4-methylphenyl)-15-phenyl-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaene-1618-dione

SMILES

Cc(cc1)ccc1N(C(C(C(c1c(C23)cccc1)c1c2cccc1)C31c2ccccc2)=O)C1=O

InChI

InChI=1S/C31H23NO2/c1-19-15-17-21(18-16-19)32-29(33)28-26-22-11-5-7-13-24(22)27(25-14-8-6-12-23(25)26)31(28,30(32)34)20-9-3-2-4-10-20/h2-18,26-28H,1H3

InChI Key

RNOHEJPLQGHZGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00323748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.959

Distribution Coefficient, logD

5.959

Water Solubility, LogSw

-5.68

Polar Surface Area

28.178

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

-5.72

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.10

2796-0009 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2796-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2796-0009?
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What is the minimum amount of 2796-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2796-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2796-0009
  • 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 2796-0009 available by request