C917-0509 Screening compound: 12-{[4-(tert-butyl)phenyl]sulfonyl}-4-methoxy-9,10-dimethyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C917-0509 Screening compound: 12-{[4-(tert-butyl)phenyl]sulfonyl}-4-methoxy-9,10-dimethyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C917-0509 Screening compound: 12-{[4-(tert-butyl)phenyl]sulfonyl}-4-methoxy-9,10-dimethyl-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 C917-0509
12-{[4-(tert-butyl)phenyl]sulfonyl}-4-methoxy-9,10-dimethyl-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

C917-0509

Molecular Formula

C24H29NO5S (C24 H29 NO5 S)

Compound Name

12-{[4-(tert-butyl)phenyl]sulfonyl}-4-methoxy-9,10-dimethyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

12-(4-tert-butylbenzenesulfonyl)-4-methoxy-910-dimethyl-8-oxa-10-azatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(C)(C)c(cc1)ccc1S(C(C(C1)c(cc(cc2)OC)c2OC1(C)N1C)C1=O)(=O)=O

InChI

InChI=1S/C24H29NO5S/c1-23(2,3)15-7-10-17(11-8-15)31(27,28)21-19-14-24(4,25(5)22(21)26)30-20-12-9-16(29-6)13-18(19)20/h7-13,19,21H,14H2,1-6H3

InChI Key

OIZIOMXXIWTNIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.450

Distribution Coefficient, logD

4.449

Water Solubility, LogSw

-4.50

Polar Surface Area

58.805

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

-5.26

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

45.80

C917-0509 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C917-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C917-0509?
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What is the minimum amount of C917-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C917-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C917-0509
  • 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 C917-0509 available by request