S510-0953 Screening compound: 2-(5-{2-[benzyl(methyl)carbamoyl]ethyl}-1,2,4-oxadiazol-3-yl)-N-cyclohexylpyrrolidine-1-carboxamide

S510-0953 Screening compound: 2-(5-{2-[benzyl(methyl)carbamoyl]ethyl}-1,2,4-oxadiazol-3-yl)-N-cyclohexylpyrrolidine-1-carboxamide
S510-0953 Screening compound: 2-(5-{2-[benzyl(methyl)carbamoyl]ethyl}-1,2,4-oxadiazol-3-yl)-N-cyclohexylpyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S510-0953
2-(5-{2-[benzyl(methyl)carbamoyl]ethyl}-1,2,4-oxadiazol-3-yl)-N-cyclohexylpyrrolidine-1-carboxamide

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

S510-0953

Molecular Formula

C24H33N5O3 (C24 H33 N5 O3)

Compound Name

2-(5-{2-[benzyl(methyl)carbamoyl]ethyl}-1,2,4-oxadiazol-3-yl)-N-cyclohexylpyrrolidine-1-carboxamide

IUPAC name

2-(5-{2-[benzyl(methyl)carbamoyl]ethyl}-124-oxadiazol-3-yl)-N-cyclohexylpyrrolidine-1-carboxamide

SMILES

CN(Cc1ccccc1)C(CCc1nc(C(CCC2)N2C(NC2CCCCC2)=O)no1)=O

InChI

InChI=1S/C24H33N5O3/c1-28(17-18-9-4-2-5-10-18)22(30)15-14-21-26-23(27-32-21)20-13-8-16-29(20)24(31)25-19-11-6-3-7-12-19/h2,4-5,9-10,19-20H,3,6-8,11-17H2,1H3,(H,25,31)/t20-/m0/s1

InChI Key

YRYPRVBUTWAKJX-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31993563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

3.860

Water Solubility, LogSw

-3.83

Polar Surface Area

73.781

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.33

S510-0953 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S510-0953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S510-0953?
Check Price and Availability of S510-0953, 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 S510-0953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S510-0953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S510-0953
  • 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 S510-0953 available by request