S059-0028 Screening compound: N-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]pyridin-3-amine

S059-0028 Screening compound: N-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]pyridin-3-amine
S059-0028 Screening compound: N-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S059-0028
N-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]pyridin-3-amine

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

S059-0028

Molecular Formula

C17H19N3O2 (C17 H19 N3 O2)

Compound Name

N-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]pyridin-3-amine

IUPAC name

N-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]pyridin-3-amine

SMILES

COc(cc1)ccc1C(N(CC1)CC1Nc1cnccc1)=O

InChI

InChI=1S/C17H19N3O2/c1-22-16-6-4-13(5-7-16)17(21)20-10-8-15(12-20)19-14-3-2-9-18-11-14/h2-7,9,11,15,19H,8,10,12H2,1H3/t15-/m1/s1

InChI Key

LLNSPMNLNSGJGA-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29030764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.827

Distribution Coefficient, logD

1.677

Water Solubility, LogSw

-1.36

Polar Surface Area

44.015

Acid Dissociation Constant (pKa)

22.15

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

S059-0028 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases
  • Ion Channels
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S059-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S059-0028?
Check Price and Availability of S059-0028, 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 S059-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S059-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S059-0028
  • 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 S059-0028 available by request