S510-0895 Screening compound: N-benzyl-3-(3-{1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl}-1,2,4-oxadiazol-5-yl)propanamide

S510-0895 Screening compound: N-benzyl-3-(3-{1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl}-1,2,4-oxadiazol-5-yl)propanamide
S510-0895 Screening compound: N-benzyl-3-(3-{1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl}-1,2,4-oxadiazol-5-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S510-0895
N-benzyl-3-(3-{1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl}-1,2,4-oxadiazol-5-yl)propanamide

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

S510-0895

Molecular Formula

C25H28N4O4 (C25 H28 N4 O4)

Compound Name

N-benzyl-3-(3-{1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl}-1,2,4-oxadiazol-5-yl)propanamide

IUPAC name

N-benzyl-3-(3-{1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl}-124-oxadiazol-5-yl)propanamide

SMILES

COc1cccc(CC(N(CCC2)C2c2noc(CCC(NCc3ccccc3)=O)n2)=O)c1

InChI

InChI=1S/C25H28N4O4/c1-32-20-10-5-9-19(15-20)16-24(31)29-14-6-11-21(29)25-27-23(33-28-25)13-12-22(30)26-17-18-7-3-2-4-8-18/h2-5,7-10,15,21H,6,11-14,16-17H2,1H3,(H,26,30)/t21-/m0/s1

InChI Key

QQVXPCSHYMHWAD-NRFANRHFSA-N

MDL Number (MFCD)

MFCD31984848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.897

Distribution Coefficient, logD

2.897

Water Solubility, LogSw

-3.36

Polar Surface Area

79.506

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

S510-0895 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with S510-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S510-0895?
Check Price and Availability of S510-0895, 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 S510-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S510-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S510-0895
  • 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 S510-0895 available by request