C917-0481 Screening compound: 12-{[4-(TERT-BUTYL)PHENYL]SULFONYL}-9-METHYL-8-OXA-10-AZATRICYCLO[7.3.1.02

C917-0481 Screening compound: 12-{[4-(TERT-BUTYL)PHENYL]SULFONYL}-9-METHYL-8-OXA-10-AZATRICYCLO[7.3.1.02
C917-0481 Screening compound: 12-{[4-(TERT-BUTYL)PHENYL]SULFONYL}-9-METHYL-8-OXA-10-AZATRICYCLO[7.3.1.02 alternative view

Chemical Structure Depiction of ChemDiv screening compound C917-0481
12-{[4-(TERT-BUTYL)PHENYL]SULFONYL}-9-METHYL-8-OXA-10-AZATRICYCLO[7.3.1.02

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

C917-0481

Molecular Formula

C22H25NO4S (C22 H25 NO4 S)

Compound Name

12-{[4-(TERT-BUTYL)PHENYL]SULFONYL}-9-METHYL-8-OXA-10-AZATRICYCLO[7.3.1.02

IUPAC name

n/a

SMILES

CC(C)(C)c(cc1)ccc1S(C(C(C1)c(cccc2)c2OC1(C)N1)C1=O)(=O)=O

InChI

InChI=1S/C22H25NO4S/c1-21(2,3)14-9-11-15(12-10-14)28(25,26)19-17-13-22(4,23-20(19)24)27-18-8-6-5-7-16(17)18/h5-12,17,19H,13H2,1-4H3,(H,23,24)

InChI Key

ZRLZPTZKQDPAMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.318

Distribution Coefficient, logD

4.317

Water Solubility, LogSw

-4.37

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

40.90

C917-0481 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 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:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • 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 C917-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C917-0481?
Check Price and Availability of C917-0481, 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 C917-0481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C917-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C917-0481
  • 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 C917-0481 available by request