J006-1945 Screening compound: 3-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}pyridine

J006-1945 Screening compound: 3-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}pyridine
J006-1945 Screening compound: 3-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-1945
3-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}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

J006-1945

Molecular Formula

C15H19N3O (C15 H19 N3 O)

Compound Name

3-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}pyridine

IUPAC name

3-{[2-(35-dimethyl-12-oxazol-4-yl)pyrrolidin-1-yl]methyl}pyridine

SMILES

Cc1noc(C)c1C1N(Cc2cnccc2)CCC1

InChI

InChI=1S/C15H19N3O/c1-11-15(12(2)19-17-11)14-6-4-8-18(14)10-13-5-3-7-16-9-13/h3,5,7,9,14H,4,6,8,10H2,1-2H3/t14-/m0/s1

InChI Key

RIHNWRQUDNLHHQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27215702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.448

Distribution Coefficient, logD

0.242

Water Solubility, LogSw

-0.78

Polar Surface Area

35.481

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

J006-1945 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
Structure:
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with J006-1945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-1945?
Check Price and Availability of J006-1945, 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 J006-1945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-1945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-1945
  • 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 J006-1945 available by request