S421-0042 Screening compound: N-benzyl-2-(1-cyclopropanecarbonylpyrrolidin-3-yl)acetamide

S421-0042 Screening compound: N-benzyl-2-(1-cyclopropanecarbonylpyrrolidin-3-yl)acetamide
S421-0042 Screening compound: N-benzyl-2-(1-cyclopropanecarbonylpyrrolidin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S421-0042
N-benzyl-2-(1-cyclopropanecarbonylpyrrolidin-3-yl)acetamide

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

S421-0042

Molecular Formula

C17H22N2O2 (C17 H22 N2 O2)

Compound Name

N-benzyl-2-(1-cyclopropanecarbonylpyrrolidin-3-yl)acetamide

IUPAC name

N-benzyl-2-(1-cyclopropanecarbonylpyrrolidin-3-yl)acetamide

SMILES

O=C(CC(CC1)CN1C(C1CC1)=O)NCc1ccccc1

InChI

InChI=1S/C17H22N2O2/c20-16(18-11-13-4-2-1-3-5-13)10-14-8-9-19(12-14)17(21)15-6-7-15/h1-5,14-15H,6-12H2,(H,18,20)/t14-/m0/s1

InChI Key

HIMLDDODEDGLEW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD28993682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.896

Distribution Coefficient, logD

1.896

Water Solubility, LogSw

-2.17

Polar Surface Area

41.909

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

S421-0042 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with S421-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S421-0042?
Check Price and Availability of S421-0042, 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 S421-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S421-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S421-0042
  • 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 S421-0042 available by request