S795-0246 Screening compound: (9aR,12aS)-1-(2-thienylsulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one

S795-0246 Screening compound: (9aR,12aS)-1-(2-thienylsulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one
S795-0246 Screening compound: (9aR,12aS)-1-(2-thienylsulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S795-0246
(9aR,12aS)-1-(2-thienylsulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-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

S795-0246

Molecular Formula

C15H22N2O4S2 (C15 H22 N2 O4 S2)

Compound Name

(9aR,12aS)-1-(2-thienylsulfonyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecin-9(6H)-one

IUPAC name

n/a

SMILES

O=C([C@H]1[C@@H]2CCC1)NCCOCCCN2S(c1cccs1)(=O)=O

InChI

InChI=1S/C15H22N2O4S2/c18-15-12-4-1-5-13(12)17(8-3-9-21-10-7-16-15)23(19,20)14-6-2-11-22-14/h2,6,11-13H,1,3-5,7-10H2,(H,16,18)/t12-,13+/m1/s1

InChI Key

XTTALERTUDRYJL-OLZOCXBDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.891

Distribution Coefficient, logD

0.891

Water Solubility, LogSw

-2.36

Polar Surface Area

66.641

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

S795-0246 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S795-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S795-0246?
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What is the minimum amount of S795-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S795-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S795-0246
  • 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 S795-0246 available by request