S729-0069 Screening compound: 1-benzyl-3-(2-hydroxyethyl)-N-[2-(piperidin-1-yl)ethyl]pyrrolidine-3-carboxamide

S729-0069 Screening compound: 1-benzyl-3-(2-hydroxyethyl)-N-[2-(piperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
S729-0069 Screening compound: 1-benzyl-3-(2-hydroxyethyl)-N-[2-(piperidin-1-yl)ethyl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S729-0069
1-benzyl-3-(2-hydroxyethyl)-N-[2-(piperidin-1-yl)ethyl]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

S729-0069

Molecular Formula

C21H33N3O2 (C21 H33 N3 O2)

Compound Name

1-benzyl-3-(2-hydroxyethyl)-N-[2-(piperidin-1-yl)ethyl]pyrrolidine-3-carboxamide

IUPAC name

1-benzyl-3-(2-hydroxyethyl)-N-[2-(piperidin-1-yl)ethyl]pyrrolidine-3-carboxamide

SMILES

OCCC1(CN(Cc2ccccc2)CC1)C(NCCN1CCCCC1)=O

InChI

InChI=1S/C21H33N3O2/c25-16-10-21(20(26)22-11-15-23-12-5-2-6-13-23)9-14-24(18-21)17-19-7-3-1-4-8-19/h1,3-4,7-8,25H,2,5-6,9-18H2,(H,22,26)/t21-/m1/s1

InChI Key

SWBNSSUVVDHIPB-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD30467783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.379

Distribution Coefficient, logD

-1.138

Water Solubility, LogSw

-1.74

Polar Surface Area

49.163

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S729-0069 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S729-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S729-0069?
Check Price and Availability of S729-0069, 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 S729-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S729-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S729-0069
  • 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 S729-0069 available by request