J006-1304 Screening compound: 4-(1-{[3-(benzyloxy)phenyl]methyl}pyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole

J006-1304 Screening compound: 4-(1-{[3-(benzyloxy)phenyl]methyl}pyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
J006-1304 Screening compound: 4-(1-{[3-(benzyloxy)phenyl]methyl}pyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-1304
4-(1-{[3-(benzyloxy)phenyl]methyl}pyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole

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

J006-1304

Molecular Formula

C23H26N2O2 (C23 H26 N2 O2)

Compound Name

4-(1-{[3-(benzyloxy)phenyl]methyl}pyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole

IUPAC name

4-(1-{[3-(benzyloxy)phenyl]methyl}pyrrolidin-2-yl)-35-dimethyl-12-oxazole

SMILES

Cc1noc(C)c1C1N(Cc2cc(OCc3ccccc3)ccc2)CCC1

InChI

InChI=1S/C23H26N2O2/c1-17-23(18(2)27-24-17)22-12-7-13-25(22)15-20-10-6-11-21(14-20)26-16-19-8-4-3-5-9-19/h3-6,8-11,14,22H,7,12-13,15-16H2,1-2H3/t22-/m0/s1

InChI Key

QCTQCUFSUQGRPC-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27215599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.250

Distribution Coefficient, logD

0.982

Water Solubility, LogSw

-4.43

Polar Surface Area

33.191

Acid Dissociation Constant (pKa)

20.75

Base Dissociation Constant (pKb)

10.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

J006-1304 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • GPCR
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with J006-1304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-1304?
Check Price and Availability of J006-1304, 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 J006-1304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-1304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-1304
  • 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 J006-1304 available by request