T139-0505 Screening compound: N-benzyl-1-{1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl}-5-oxopyrrolidine-2-carboxamide

T139-0505 Screening compound: N-benzyl-1-{1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl}-5-oxopyrrolidine-2-carboxamide
T139-0505 Screening compound: N-benzyl-1-{1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl}-5-oxopyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T139-0505
N-benzyl-1-{1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl}-5-oxopyrrolidine-2-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

T139-0505

Molecular Formula

C26H31N3O4 (C26 H31 N3 O4)

Compound Name

N-benzyl-1-{1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl}-5-oxopyrrolidine-2-carboxamide

IUPAC name

N-benzyl-1-{1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl}-5-oxopyrrolidine-2-carboxamide

SMILES

Cc1cccc(OCC(N(CC2)CCC2N(C(CC2)C(NCc3ccccc3)=O)C2=O)=O)c1

InChI

InChI=1S/C26H31N3O4/c1-19-6-5-9-22(16-19)33-18-25(31)28-14-12-21(13-15-28)29-23(10-11-24(29)30)26(32)27-17-20-7-3-2-4-8-20/h2-9,16,21,23H,10-15,17-18H2,1H3,(H,27,32)/t23-/m1/s1

InChI Key

PPEUEEBRGVYUHX-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD31994077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.137

Distribution Coefficient, logD

2.137

Water Solubility, LogSw

-2.63

Polar Surface Area

64.077

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.31

T139-0505 in Drug Discovery

Included in Screening Libraries

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

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)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 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
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with T139-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T139-0505?
Check Price and Availability of T139-0505, 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 T139-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T139-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T139-0505
  • 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 T139-0505 available by request