P909-5556 Screening compound: (3R,4R)-3-methyl-N~1~-[3-(methylsulfanyl)phenyl]-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrole-1-carboxamide

P909-5556 Screening compound: (3R,4R)-3-methyl-N~1~-[3-(methylsulfanyl)phenyl]-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrole-1-carboxamide
P909-5556 Screening compound: (3R,4R)-3-methyl-N~1~-[3-(methylsulfanyl)phenyl]-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P909-5556
(3R,4R)-3-methyl-N~1~-[3-(methylsulfanyl)phenyl]-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrole-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

P909-5556

Molecular Formula

C20H21N5O2S (C20 H21 N5 O2 S)

Compound Name

(3R,4R)-3-methyl-N~1~-[3-(methylsulfanyl)phenyl]-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrole-1-carboxamide

IUPAC name

(3R4R)-3-methyl-N-[3-(methylsulfanyl)phenyl]-4-[3-(pyridin-4-yl)-124-oxadiazol-5-yl]pyrrolidine-1-carboxamide

SMILES

C[C@@H](CN(C1)C(Nc2cccc(SC)c2)=O)[C@H]1c1nc(-c2ccncc2)no1

InChI

InChI=1S/C20H21N5O2S/c1-13-11-25(20(26)22-15-4-3-5-16(10-15)28-2)12-17(13)19-23-18(24-27-19)14-6-8-21-9-7-14/h3-10,13,17H,11-12H2,1-2H3,(H,22,26)/t13-,17-/m1/s1

InChI Key

KGSWHVVWSGSRSL-CXAGYDPISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.824

Distribution Coefficient, logD

3.824

Water Solubility, LogSw

-3.87

Polar Surface Area

66.774

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

P909-5556 in Drug Discovery

Included in Screening Libraries

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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P909-5556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P909-5556?
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What is the minimum amount of P909-5556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P909-5556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P909-5556
  • 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 P909-5556 available by request