C298-0082 Screening compound: 12-(2-fluorobenzoyl)-9-methyl-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C298-0082 Screening compound: 12-(2-fluorobenzoyl)-9-methyl-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C298-0082 Screening compound: 12-(2-fluorobenzoyl)-9-methyl-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C298-0082
12-(2-fluorobenzoyl)-9-methyl-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

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

C298-0082

Molecular Formula

C24H19FN2O3 (C24 H19 FN2 O3)

Compound Name

12-(2-fluorobenzoyl)-9-methyl-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

12-(2-fluorobenzoyl)-9-methyl-10-phenyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1N2C(c(cccc3)c3F)=O)(N(c3ccccc3)C2=O)Oc2c1cccc2

InChI

InChI=1S/C24H19FN2O3/c1-24-15-20(18-12-6-8-14-21(18)30-24)26(22(28)17-11-5-7-13-19(17)25)23(29)27(24)16-9-3-2-4-10-16/h2-14,20H,15H2,1H3

InChI Key

LZZCYHAELFTWFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.409

Distribution Coefficient, logD

4.409

Water Solubility, LogSw

-4.61

Polar Surface Area

36.191

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.70

C298-0082 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C298-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C298-0082?
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What is the minimum amount of C298-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C298-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C298-0082
  • 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 C298-0082 available by request