P909-5789 Screening compound: 5-[4-methyl-1-(2-methylbenzoyl)pyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole

P909-5789 Screening compound: 5-[4-methyl-1-(2-methylbenzoyl)pyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole
P909-5789 Screening compound: 5-[4-methyl-1-(2-methylbenzoyl)pyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P909-5789
5-[4-methyl-1-(2-methylbenzoyl)pyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole

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

P909-5789

Molecular Formula

C21H21N3O2 (C21 H21 N3 O2)

Compound Name

5-[4-methyl-1-(2-methylbenzoyl)pyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole

IUPAC name

5-[(3R4R)-4-methyl-1-(2-methylbenzoyl)pyrrolidin-3-yl]-3-phenyl-124-oxadiazole

SMILES

C[C@@H](CN(C1)C(c2c(C)cccc2)=O)[C@H]1c1nc(-c2ccccc2)no1

InChI

InChI=1S/C21H21N3O2/c1-14-8-6-7-11-17(14)21(25)24-12-15(2)18(13-24)20-22-19(23-26-20)16-9-4-3-5-10-16/h3-11,15,18H,12-13H2,1-2H3/t15-,18-/m1/s1

InChI Key

GUZKTDQTIIMJFV-CRAIPNDOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.492

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-4.52

Polar Surface Area

48.525

Acid Dissociation Constant (pKa)

24.32

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

P909-5789 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with P909-5789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P909-5789?
Check Price and Availability of P909-5789, 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 P909-5789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P909-5789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P909-5789
  • 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 P909-5789 available by request