S512-0139 Screening compound: 4-(3-phenoxypyrrolidine-1-carbonyl)pyridine

S512-0139 Screening compound: 4-(3-phenoxypyrrolidine-1-carbonyl)pyridine
S512-0139 Screening compound: 4-(3-phenoxypyrrolidine-1-carbonyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S512-0139
4-(3-phenoxypyrrolidine-1-carbonyl)pyridine

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

S512-0139

Molecular Formula

C16H16N2O2 (C16 H16 N2 O2)

Compound Name

4-(3-phenoxypyrrolidine-1-carbonyl)pyridine

IUPAC name

4-(3-phenoxypyrrolidine-1-carbonyl)pyridine

SMILES

O=C(c1ccncc1)N(CC1)CC1Oc1ccccc1

InChI

InChI=1S/C16H16N2O2/c19-16(13-6-9-17-10-7-13)18-11-8-15(12-18)20-14-4-2-1-3-5-14/h1-7,9-10,15H,8,11-12H2/t15-/m1/s1

InChI Key

FBXUSTTXSZEDOQ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29008212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.631

Distribution Coefficient, logD

1.629

Water Solubility, LogSw

-1.26

Polar Surface Area

32.876

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

S512-0139 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • PPI modulators
Agro:
  • Agro
Targets:
  • GPCR
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S512-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S512-0139?
Check Price and Availability of S512-0139, 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 S512-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S512-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S512-0139
  • 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 S512-0139 available by request