C298-0042 Screening compound: 12-[(5-bromo-2-furyl)carbonyl]-9-methyl-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C298-0042 Screening compound: 12-[(5-bromo-2-furyl)carbonyl]-9-methyl-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C298-0042 Screening compound: 12-[(5-bromo-2-furyl)carbonyl]-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 C298-0042
12-[(5-bromo-2-furyl)carbonyl]-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

C298-0042

Molecular Formula

C22H17BrN2O4 (C22 H17 BrN2 O4)

Compound Name

12-[(5-bromo-2-furyl)carbonyl]-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-(5-bromofuran-2-carbonyl)-9-methyl-10-phenyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1N2C(c(o3)ccc3Br)=O)(N(c3ccccc3)C2=O)Oc2c1cccc2

InChI

InChI=1S/C22H17BrN2O4/c1-22-13-16(15-9-5-6-10-17(15)29-22)24(20(26)18-11-12-19(23)28-18)21(27)25(22)14-7-3-2-4-8-14/h2-12,16H,13H2,1H3

InChI Key

XSJGWBMCQAQJBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.312

Distribution Coefficient, logD

4.312

Water Solubility, LogSw

-4.54

Polar Surface Area

45.117

Acid Dissociation Constant (pKa)

25.37

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.20

C298-0042 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)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C298-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C298-0042?
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What is the minimum amount of C298-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C298-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C298-0042
  • 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 C298-0042 available by request