C917-0001 Screening compound: 12-(BENZENESULFONYL)-9-METHYL-8-OXA-10-AZATRICYCLO[7.3.1.0{27}]TRIDECA-246-TRIEN-11-ONE

C917-0001 Screening compound: 12-(BENZENESULFONYL)-9-METHYL-8-OXA-10-AZATRICYCLO[7.3.1.0{27}]TRIDECA-246-TRIEN-11-ONE
C917-0001 Screening compound: 12-(BENZENESULFONYL)-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 C917-0001
12-(BENZENESULFONYL)-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

C917-0001

Molecular Formula

C18H17NO4S (C18 H17 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1C2S(c3ccccc3)(=O)=O)(NC2=O)Oc2c1cccc2

InChI

InChI=1S/C18H17NO4S/c1-18-11-14(13-9-5-6-10-15(13)23-18)16(17(20)19-18)24(21,22)12-7-3-2-4-8-12/h2-10,14,16H,11H2,1H3,(H,19,20)

InChI Key

KJPVLUCHQLSDAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.4

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

2.338

Distribution Coefficient, logD

2.338

Water Solubility, LogSw

-3.08

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

27.78

C917-0001 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
Targets:
  • Kinases
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C917-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C917-0001?
Check Price and Availability of C917-0001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C917-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C917-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C917-0001
  • 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 C917-0001 available by request