C298-0087 Screening compound: 12-(3,5-dimethoxybenzoyl)-10-(4-fluorophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C298-0087 Screening compound: 12-(3,5-dimethoxybenzoyl)-10-(4-fluorophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C298-0087 Screening compound: 12-(3,5-dimethoxybenzoyl)-10-(4-fluorophenyl)-9-methyl-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 C298-0087
12-(3,5-dimethoxybenzoyl)-10-(4-fluorophenyl)-9-methyl-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

C298-0087

Molecular Formula

C26H23FN2O5 (C26 H23 FN2 O5)

Compound Name

12-(3,5-dimethoxybenzoyl)-10-(4-fluorophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

12-(35-dimethoxybenzoyl)-10-(4-fluorophenyl)-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1N2C(c3cc(OC)cc(OC)c3)=O)(N(c(cc3)ccc3F)C2=O)Oc2c1cccc2

InChI

InChI=1S/C26H23FN2O5/c1-26-15-22(21-6-4-5-7-23(21)34-26)28(25(31)29(26)18-10-8-17(27)9-11-18)24(30)16-12-19(32-2)14-20(13-16)33-3/h4-14,22H,15H2,1-3H3

InChI Key

SUXSAVMMVNVHIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.539

Distribution Coefficient, logD

4.539

Water Solubility, LogSw

-4.52

Polar Surface Area

51.279

Acid Dissociation Constant (pKa)

24.93

Base Dissociation Constant (pKb)

-4.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

C298-0087 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C298-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C298-0087?
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What is the minimum amount of C298-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C298-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C298-0087
  • 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 C298-0087 available by request