S421-0049 Screening compound: N-benzyl-2-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide

S421-0049 Screening compound: N-benzyl-2-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
S421-0049 Screening compound: N-benzyl-2-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S421-0049
N-benzyl-2-[1-(3-fluorobenzoyl)pyrrolidin-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

S421-0049

Molecular Formula

C20H21FN2O2 (C20 H21 FN2 O2)

Compound Name

N-benzyl-2-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide

IUPAC name

N-benzyl-2-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide

SMILES

O=C(CC(CC1)CN1C(c1cccc(F)c1)=O)NCc1ccccc1

InChI

InChI=1S/C20H21FN2O2/c21-18-8-4-7-17(12-18)20(25)23-10-9-16(14-23)11-19(24)22-13-15-5-2-1-3-6-15/h1-8,12,16H,9-11,13-14H2,(H,22,24)/t16-/m0/s1

InChI Key

LLKMJRGPYZDQTK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29004993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.4

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

2.513

Distribution Coefficient, logD

2.513

Water Solubility, LogSw

-2.86

Polar Surface Area

41.386

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

S421-0049 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S421-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S421-0049?
Check Price and Availability of S421-0049, 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 S421-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S421-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S421-0049
  • 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 S421-0049 available by request