S510-0872 Screening compound: 2-{5-[2-(benzylcarbamoyl)ethyl]-1,2,4-oxadiazol-3-yl}-N-(2-phenylethyl)pyrrolidine-1-carboxamide

S510-0872 Screening compound: 2-{5-[2-(benzylcarbamoyl)ethyl]-1,2,4-oxadiazol-3-yl}-N-(2-phenylethyl)pyrrolidine-1-carboxamide
S510-0872 Screening compound: 2-{5-[2-(benzylcarbamoyl)ethyl]-1,2,4-oxadiazol-3-yl}-N-(2-phenylethyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S510-0872
2-{5-[2-(benzylcarbamoyl)ethyl]-1,2,4-oxadiazol-3-yl}-N-(2-phenylethyl)pyrrolidine-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

S510-0872

Molecular Formula

C25H29N5O3 (C25 H29 N5 O3)

Compound Name

2-{5-[2-(benzylcarbamoyl)ethyl]-1,2,4-oxadiazol-3-yl}-N-(2-phenylethyl)pyrrolidine-1-carboxamide

IUPAC name

2-{5-[2-(benzylcarbamoyl)ethyl]-124-oxadiazol-3-yl}-N-(2-phenylethyl)pyrrolidine-1-carboxamide

SMILES

O=C(CCc1nc(C(CCC2)N2C(NCCc2ccccc2)=O)no1)NCc1ccccc1

InChI

InChI=1S/C25H29N5O3/c31-22(27-18-20-10-5-2-6-11-20)13-14-23-28-24(29-33-23)21-12-7-17-30(21)25(32)26-16-15-19-8-3-1-4-9-19/h1-6,8-11,21H,7,12-18H2,(H,26,32)(H,27,31)/t21-/m0/s1

InChI Key

ZTQSODMXTKKJCD-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29014450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.032

Distribution Coefficient, logD

3.032

Water Solubility, LogSw

-3.26

Polar Surface Area

82.474

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

S510-0872 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 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:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
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 S510-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S510-0872?
Check Price and Availability of S510-0872, 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 S510-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S510-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S510-0872
  • 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 S510-0872 available by request