S059-0002 Screening compound: N-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]pyridin-3-amine

S059-0002 Screening compound: N-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]pyridin-3-amine
S059-0002 Screening compound: N-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S059-0002
N-[1-(3-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

S059-0002

Molecular Formula

C17H19N3O2 (C17 H19 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(N(CC2)CC2Nc2cnccc2)=O)c1

InChI

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

InChI Key

KAELDRIDQKDGIV-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29030761

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

1.823

Distribution Coefficient, logD

1.673

Water Solubility, LogSw

-1.55

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

S059-0002 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 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:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • PPI modulators
Targets:
  • GPCR
  • Ion Channels
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S059-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S059-0002?
Check Price and Availability of S059-0002, 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 S059-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S059-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S059-0002
  • 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 S059-0002 available by request