S729-0014 Screening compound: 1-benzyl-3-(2-hydroxyethyl)-N-(propan-2-yl)pyrrolidine-3-carboxamide

S729-0014 Screening compound: 1-benzyl-3-(2-hydroxyethyl)-N-(propan-2-yl)pyrrolidine-3-carboxamide
S729-0014 Screening compound: 1-benzyl-3-(2-hydroxyethyl)-N-(propan-2-yl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S729-0014
1-benzyl-3-(2-hydroxyethyl)-N-(propan-2-yl)pyrrolidine-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

S729-0014

Molecular Formula

C17H26N2O2 (C17 H26 N2 O2)

Compound Name

1-benzyl-3-(2-hydroxyethyl)-N-(propan-2-yl)pyrrolidine-3-carboxamide

IUPAC name

1-benzyl-3-(2-hydroxyethyl)-N-(propan-2-yl)pyrrolidine-3-carboxamide

SMILES

CC(C)NC(C1(CCO)CN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C17H26N2O2/c1-14(2)18-16(21)17(9-11-20)8-10-19(13-17)12-15-6-4-3-5-7-15/h3-7,14,20H,8-13H2,1-2H3,(H,18,21)/t17-/m1/s1

InChI Key

MBDWHNAEMGZMQA-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31974738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.41

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

1.414

Distribution Coefficient, logD

-1.189

Water Solubility, LogSw

-1.86

Polar Surface Area

44.585

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

S729-0014 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S729-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S729-0014?
Check Price and Availability of S729-0014, 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 S729-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S729-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S729-0014
  • 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 S729-0014 available by request