4905-1841 Screening compound: 9,10-dimethyl-11-oxo-N~12~-phenyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxamide

4905-1841 Screening compound: 9,10-dimethyl-11-oxo-N~12~-phenyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxamide
4905-1841 Screening compound: 9,10-dimethyl-11-oxo-N~12~-phenyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4905-1841
9,10-dimethyl-11-oxo-N~12~-phenyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxamide

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

4905-1841

Molecular Formula

C20H20N2O3 (C20 H20 N2 O3)

Compound Name

9,10-dimethyl-11-oxo-N~12~-phenyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxamide

IUPAC name

910-dimethyl-11-oxo-N-phenyl-8-oxa-10-azatricyclo[7.3.1.0^{27}]trideca-246-triene-12-carboxamide

SMILES

CC(CC1C2C(Nc3ccccc3)=O)(N(C)C2=O)Oc2c1cccc2

InChI

InChI=1S/C20H20N2O3/c1-20-12-15(14-10-6-7-11-16(14)25-20)17(19(24)22(20)2)18(23)21-13-8-4-3-5-9-13/h3-11,15,17H,12H2,1-2H3,(H,21,23)

InChI Key

GIYPFJICQNKPDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03273234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.529

Distribution Coefficient, logD

2.529

Water Solubility, LogSw

-3.13

Polar Surface Area

44.852

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.00

4905-1841 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 4905-1841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4905-1841?
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What is the minimum amount of 4905-1841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4905-1841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4905-1841
  • 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 4905-1841 available by request