C917-0105 Screening compound: 12-[(3,4-dimethylphenyl)sulfonyl]-5-methoxy-9-methyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C917-0105 Screening compound: 12-[(3,4-dimethylphenyl)sulfonyl]-5-methoxy-9-methyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C917-0105 Screening compound: 12-[(3,4-dimethylphenyl)sulfonyl]-5-methoxy-9-methyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C917-0105
12-[(3,4-dimethylphenyl)sulfonyl]-5-methoxy-9-methyl-8-oxa-10-azatricyclo[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

C917-0105

Molecular Formula

C21H23NO5S (C21 H23 NO5 S)

Compound Name

12-[(3,4-dimethylphenyl)sulfonyl]-5-methoxy-9-methyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

12-(34-dimethylbenzenesulfonyl)-5-methoxy-9-methyl-8-oxa-10-azatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1C2S(c3cc(C)c(C)cc3)(=O)=O)(NC2=O)Oc2c1ccc(OC)c2

InChI

InChI=1S/C21H23NO5S/c1-12-5-7-15(9-13(12)2)28(24,25)19-17-11-21(3,22-20(19)23)27-18-10-14(26-4)6-8-16(17)18/h5-10,17,19H,11H2,1-4H3,(H,22,23)

InChI Key

RXWWXKRADGHTTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.548

Distribution Coefficient, logD

3.547

Water Solubility, LogSw

-3.94

Polar Surface Area

69.570

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

-5.52

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

38.10

C917-0105 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 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:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C917-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C917-0105?
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What is the minimum amount of C917-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C917-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C917-0105
  • 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 C917-0105 available by request