S512-0345 Screening compound: 3-{[1-(1-ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]oxy}pyridine

S512-0345 Screening compound: 3-{[1-(1-ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]oxy}pyridine
S512-0345 Screening compound: 3-{[1-(1-ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]oxy}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S512-0345
3-{[1-(1-ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]oxy}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

S512-0345

Molecular Formula

C15H18N4O2 (C15 H18 N4 O2)

Compound Name

3-{[1-(1-ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]oxy}pyridine

IUPAC name

3-{[1-(1-ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]oxy}pyridine

SMILES

CCn1nccc1C(N(CC1)CC1Oc1cnccc1)=O

InChI

InChI=1S/C15H18N4O2/c1-2-19-14(5-8-17-19)15(20)18-9-6-13(11-18)21-12-4-3-7-16-10-12/h3-5,7-8,10,13H,2,6,9,11H2,1H3/t13-/m1/s1

InChI Key

YLCJNLIIDSLCPQ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD31961879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.674

Distribution Coefficient, logD

0.662

Water Solubility, LogSw

-0.61

Polar Surface Area

46.055

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S512-0345 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S512-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S512-0345?
Check Price and Availability of S512-0345, 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 S512-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S512-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S512-0345
  • 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 S512-0345 available by request