S729-0119 Screening compound: 1-benzyl-3-(2-hydroxyethyl)-N-phenylpyrrolidine-3-carboxamide

S729-0119 Screening compound: 1-benzyl-3-(2-hydroxyethyl)-N-phenylpyrrolidine-3-carboxamide
S729-0119 Screening compound: 1-benzyl-3-(2-hydroxyethyl)-N-phenylpyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S729-0119
1-benzyl-3-(2-hydroxyethyl)-N-phenylpyrrolidine-3-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

S729-0119

Molecular Formula

C20H24N2O2 (C20 H24 N2 O2)

Compound Name

1-benzyl-3-(2-hydroxyethyl)-N-phenylpyrrolidine-3-carboxamide

IUPAC name

1-benzyl-3-(2-hydroxyethyl)-N-phenylpyrrolidine-3-carboxamide

SMILES

OCCC1(CN(Cc2ccccc2)CC1)C(Nc1ccccc1)=O

InChI

InChI=1S/C20H24N2O2/c23-14-12-20(19(24)21-18-9-5-2-6-10-18)11-13-22(16-20)15-17-7-3-1-4-8-17/h1-10,23H,11-16H2,(H,21,24)/t20-/m1/s1

InChI Key

NWWSGEYTODVQTB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD30467790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.369

Distribution Coefficient, logD

0.664

Water Solubility, LogSw

-2.61

Polar Surface Area

44.017

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

S729-0119 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S729-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S729-0119?
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What is the minimum amount of S729-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S729-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S729-0119
  • 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 S729-0119 available by request