P909-5694 Screening compound: 1-[3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-phenylbutan-1-one

P909-5694 Screening compound: 1-[3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-phenylbutan-1-one
P909-5694 Screening compound: 1-[3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P909-5694
1-[3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-phenylbutan-1-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

P909-5694

Molecular Formula

C23H25N3O2 (C23 H25 N3 O2)

Compound Name

1-[3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-phenylbutan-1-one

IUPAC name

1-[(3R4R)-3-methyl-4-(3-phenyl-124-oxadiazol-5-yl)pyrrolidin-1-yl]-4-phenylbutan-1-one

SMILES

C[C@@H](CN(C1)C(CCCc2ccccc2)=O)[C@H]1c1nc(-c2ccccc2)no1

InChI

InChI=1S/C23H25N3O2/c1-17-15-26(21(27)14-8-11-18-9-4-2-5-10-18)16-20(17)23-24-22(25-28-23)19-12-6-3-7-13-19/h2-7,9-10,12-13,17,20H,8,11,14-16H2,1H3/t17-,20-/m1/s1

InChI Key

SASITQPMAJWEHA-YLJYHZDGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.317

Distribution Coefficient, logD

5.317

Water Solubility, LogSw

-5.27

Polar Surface Area

47.998

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

P909-5694 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with P909-5694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P909-5694?
Check Price and Availability of P909-5694, 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 P909-5694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P909-5694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P909-5694
  • 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 P909-5694 available by request