J006-1943 Screening compound: 5-propyl-3-[1-(3-pyridylmethyl)-2-pyrrolidinyl]isoxazole

J006-1943 Screening compound: 5-propyl-3-[1-(3-pyridylmethyl)-2-pyrrolidinyl]isoxazole
J006-1943 Screening compound: 5-propyl-3-[1-(3-pyridylmethyl)-2-pyrrolidinyl]isoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-1943
5-propyl-3-[1-(3-pyridylmethyl)-2-pyrrolidinyl]isoxazole

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

J006-1943

Molecular Formula

C16H21N3O (C16 H21 N3 O)

Compound Name

5-propyl-3-[1-(3-pyridylmethyl)-2-pyrrolidinyl]isoxazole

IUPAC name

3-{[2-(5-propyl-12-oxazol-3-yl)pyrrolidin-1-yl]methyl}pyridine

SMILES

CCCc1cc(C2N(Cc3cnccc3)CCC2)no1

InChI

InChI=1S/C16H21N3O/c1-2-5-14-10-15(18-20-14)16-7-4-9-19(16)12-13-6-3-8-17-11-13/h3,6,8,10-11,16H,2,4-5,7,9,12H2,1H3/t16-/m0/s1

InChI Key

KTBYAKDDCNFOJA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27215701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.640

Distribution Coefficient, logD

1.804

Water Solubility, LogSw

-2.34

Polar Surface Area

34.420

Acid Dissociation Constant (pKa)

24.89

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

J006-1943 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J006-1943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-1943?
Check Price and Availability of J006-1943, 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 J006-1943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-1943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-1943
  • 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 J006-1943 available by request