S796-0072 Screening compound: 5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazacycloundecan-2-one

S796-0072 Screening compound: 5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazacycloundecan-2-one
S796-0072 Screening compound: 5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazacycloundecan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S796-0072
5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazacycloundecan-2-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

S796-0072

Molecular Formula

C22H32N2O2 (C22 H32 N2 O2)

Compound Name

5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazacycloundecan-2-one

IUPAC name

5-(2-cyclopentylacetyl)-4-phenyl-15-diazacycloundecan-2-one

SMILES

O=C(CC1CCCC1)N(CCCCCCNC(C1)=O)C1c1ccccc1

InChI

InChI=1S/C22H32N2O2/c25-21-17-20(19-12-4-3-5-13-19)24(15-9-2-1-8-14-23-21)22(26)16-18-10-6-7-11-18/h3-5,12-13,18,20H,1-2,6-11,14-17H2,(H,23,25)/t20-/m0/s1

InChI Key

CSPFUBOSKLFVHF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD30464508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.441

Distribution Coefficient, logD

3.441

Water Solubility, LogSw

-3.57

Polar Surface Area

41.694

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

S796-0072 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S796-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S796-0072?
Check Price and Availability of S796-0072, 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 S796-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S796-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S796-0072
  • 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 S796-0072 available by request