S795-0262 Screening compound: 4-({9-oxo-dodecahydro-1H-cyclopenta[f]1-oxa-4,8-diazacycloundecan-1-yl}sulfonyl)benzonitrile

S795-0262 Screening compound: 4-({9-oxo-dodecahydro-1H-cyclopenta[f]1-oxa-4,8-diazacycloundecan-1-yl}sulfonyl)benzonitrile
S795-0262 Screening compound: 4-({9-oxo-dodecahydro-1H-cyclopenta[f]1-oxa-4,8-diazacycloundecan-1-yl}sulfonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S795-0262
4-({9-oxo-dodecahydro-1H-cyclopenta[f]1-oxa-4,8-diazacycloundecan-1-yl}sulfonyl)benzonitrile

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

S795-0262

Molecular Formula

C18H23N3O4S (C18 H23 N3 O4 S)

Compound Name

4-({9-oxo-dodecahydro-1H-cyclopenta[f]1-oxa-4,8-diazacycloundecan-1-yl}sulfonyl)benzonitrile

IUPAC name

4-{[(9aR12aS)-9-oxo-dodecahydro-1H-cyclopenta[f]1-oxa-48-diazacycloundecan-1-yl]sulfonyl}benzonitrile

SMILES

N#Cc(cc1)ccc1S(N(CCCOCCN1)[C@@H](CCC2)[C@@H]2C1=O)(=O)=O

InChI

InChI=1S/C18H23N3O4S/c19-13-14-5-7-15(8-6-14)26(23,24)21-10-2-11-25-12-9-20-18(22)16-3-1-4-17(16)21/h5-8,16-17H,1-4,9-12H2,(H,20,22)/t16-,17+/m1/s1

InChI Key

WHCBSROWAPWNKX-SJORKVTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.908

Distribution Coefficient, logD

0.908

Water Solubility, LogSw

-2.48

Polar Surface Area

82.678

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

S795-0262 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 S795-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S795-0262?
Check Price and Availability of S795-0262, 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 S795-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S795-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S795-0262
  • 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 S795-0262 available by request