2360-0325 Screening compound: 4-(1-methyl-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)benzonitrile

2360-0325 Screening compound: 4-(1-methyl-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)benzonitrile
2360-0325 Screening compound: 4-(1-methyl-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)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2360-0325
4-(1-methyl-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)benzonitrile

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

2360-0325

Molecular Formula

C26H18N2O2 (C26 H18 N2 O2)

Compound Name

4-(1-methyl-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)benzonitrile

IUPAC name

4-{1-methyl-1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-24691113-hexaen-17-yl}benzonitrile

SMILES

CC(C(C(C12)C(N3c(cc4)ccc4C#N)=O)C3=O)(c3c2cccc3)c2c1cccc2

InChI

InChI=1S/C26H18N2O2/c1-26-19-8-4-2-6-17(19)21(18-7-3-5-9-20(18)26)22-23(26)25(30)28(24(22)29)16-12-10-15(14-27)11-13-16/h2-13,21-23H,1H3

InChI Key

JRVRNBYUKIAXTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.361

Distribution Coefficient, logD

3.361

Water Solubility, LogSw

-3.74

Polar Surface Area

45.506

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

-9.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

2360-0325 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2360-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2360-0325?
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What is the minimum amount of 2360-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2360-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2360-0325
  • 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 2360-0325 available by request