C917-0521 Screening compound: 12-{[4-(tert-butyl)phenyl]sulfonyl}-4-chloro-9,10-dimethyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C917-0521 Screening compound: 12-{[4-(tert-butyl)phenyl]sulfonyl}-4-chloro-9,10-dimethyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C917-0521 Screening compound: 12-{[4-(tert-butyl)phenyl]sulfonyl}-4-chloro-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 C917-0521
12-{[4-(tert-butyl)phenyl]sulfonyl}-4-chloro-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

C917-0521

Molecular Formula

C23H26ClNO4S (C23 H26 ClNO4 S)

Compound Name

12-{[4-(tert-butyl)phenyl]sulfonyl}-4-chloro-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-chloro-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)Cl)c2OC1(C)N1C)C1=O)(=O)=O

InChI

InChI=1S/C23H26ClNO4S/c1-22(2,3)14-6-9-16(10-7-14)30(27,28)20-18-13-23(4,25(5)21(20)26)29-19-11-8-15(24)12-17(18)19/h6-12,18,20H,13H2,1-5H3

InChI Key

NVYQXKDCLHGHIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.057

Distribution Coefficient, logD

5.056

Water Solubility, LogSw

-5.28

Polar Surface Area

51.262

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

-5.26

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

43.50

C917-0521 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C917-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C917-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C917-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C917-0521
  • 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 C917-0521 available by request