P909-5683 Screening compound: (4-chloro-2-methoxyphenyl)[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methanone

P909-5683 Screening compound: (4-chloro-2-methoxyphenyl)[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methanone
P909-5683 Screening compound: (4-chloro-2-methoxyphenyl)[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P909-5683
(4-chloro-2-methoxyphenyl)[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methanone

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

P909-5683

Molecular Formula

C21H20ClN3O3 (C21 H20 ClN3 O3)

Compound Name

(4-chloro-2-methoxyphenyl)[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methanone

IUPAC name

5-[(3R4R)-1-(4-chloro-2-methoxybenzoyl)-4-methylpyrrolidin-3-yl]-3-phenyl-124-oxadiazole

SMILES

C[C@@H](CN(C1)C(c(ccc(Cl)c2)c2OC)=O)[C@H]1c1nc(-c2ccccc2)no1

InChI

InChI=1S/C21H20ClN3O3/c1-13-11-25(21(26)16-9-8-15(22)10-18(16)27-2)12-17(13)20-23-19(24-28-20)14-6-4-3-5-7-14/h3-10,13,17H,11-12H2,1-2H3/t13-,17-/m1/s1

InChI Key

MEPZDPJRNUKSJZ-CXAGYDPISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.097

Distribution Coefficient, logD

5.097

Water Solubility, LogSw

-5.26

Polar Surface Area

56.156

Acid Dissociation Constant (pKa)

24.32

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.57

P909-5683 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)

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 P909-5683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P909-5683?
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What is the minimum amount of P909-5683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P909-5683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P909-5683
  • 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 P909-5683 available by request