J006-1940 Screening compound: 3-methyl-5-[1-(3-pyridylmethyl)-2-pyrrolidinyl]isoxazole

J006-1940 Screening compound: 3-methyl-5-[1-(3-pyridylmethyl)-2-pyrrolidinyl]isoxazole
J006-1940 Screening compound: 3-methyl-5-[1-(3-pyridylmethyl)-2-pyrrolidinyl]isoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-1940
3-methyl-5-[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

J006-1940

Molecular Formula

C14H17N3O (C14 H17 N3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(C2N(Cc3cnccc3)CCC2)c1

InChI

InChI=1S/C14H17N3O/c1-11-8-14(18-16-11)13-5-3-7-17(13)10-12-4-2-6-15-9-12/h2,4,6,8-9,13H,3,5,7,10H2,1H3/t13-/m0/s1

InChI Key

MEBDPIJWWVBVFQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27215699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.31

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

1.417

Distribution Coefficient, logD

0.544

Water Solubility, LogSw

-0.89

Polar Surface Area

35.056

Acid Dissociation Constant (pKa)

24.89

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

J006-1940 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

STING Agonist Library (5895 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with J006-1940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-1940?
Check Price and Availability of J006-1940, 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 J006-1940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-1940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-1940
  • 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 J006-1940 available by request