C917-0241 Screening compound: 12-(4-FLUOROBENZENESULFONYL)-9-METHYL-8-OXA-10-AZATRICYCLO[7.3.1.0{27}]TRIDECA-246-TRIEN-11-ONE

C917-0241 Screening compound: 12-(4-FLUOROBENZENESULFONYL)-9-METHYL-8-OXA-10-AZATRICYCLO[7.3.1.0{27}]TRIDECA-246-TRIEN-11-ONE
C917-0241 Screening compound: 12-(4-FLUOROBENZENESULFONYL)-9-METHYL-8-OXA-10-AZATRICYCLO[7.3.1.0{27}]TRIDECA-246-TRIEN-11-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C917-0241
12-(4-FLUOROBENZENESULFONYL)-9-METHYL-8-OXA-10-AZATRICYCLO[7.3.1.0{27}]TRIDECA-246-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

C917-0241

Molecular Formula

C18H16FNO4S (C18 H16 FNO4 S)

Compound Name

12-(4-FLUOROBENZENESULFONYL)-9-METHYL-8-OXA-10-AZATRICYCLO[7.3.1.0{27}]TRIDECA-246-TRIEN-11-ONE

IUPAC name

12-(4-fluorobenzenesulfonyl)-9-methyl-8-oxa-10-azatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1C2S(c(cc3)ccc3F)(=O)=O)(NC2=O)Oc2c1cccc2

InChI

InChI=1S/C18H16FNO4S/c1-18-10-14(13-4-2-3-5-15(13)24-18)16(17(21)20-18)25(22,23)12-8-6-11(19)7-9-12/h2-9,14,16H,10H2,1H3,(H,20,21)

InChI Key

WEWJRENGVXIYOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.552

Distribution Coefficient, logD

2.552

Water Solubility, LogSw

-3.13

Polar Surface Area

62.026

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

-5.26

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

27.80

C917-0241 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 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:
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C917-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C917-0241?
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What is the minimum amount of C917-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C917-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C917-0241
  • 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 C917-0241 available by request