J006-1662 Screening compound: 4-[1-(4-BUTOXYBENZYL)-2-PYRROLIDINYL]-3,5-DIMETHYLISOXAZOLE

J006-1662 Screening compound: 4-[1-(4-BUTOXYBENZYL)-2-PYRROLIDINYL]-3,5-DIMETHYLISOXAZOLE
J006-1662 Screening compound: 4-[1-(4-BUTOXYBENZYL)-2-PYRROLIDINYL]-3,5-DIMETHYLISOXAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-1662
4-[1-(4-BUTOXYBENZYL)-2-PYRROLIDINYL]-3,5-DIMETHYLISOXAZOLE

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

J006-1662

Molecular Formula

C20H28N2O2 (C20 H28 N2 O2)

Compound Name

4-[1-(4-BUTOXYBENZYL)-2-PYRROLIDINYL]-3,5-DIMETHYLISOXAZOLE

IUPAC name

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

SMILES

CCCCOc1ccc(CN(CCC2)C2c2c(C)onc2C)cc1

InChI

InChI=1S/C20H28N2O2/c1-4-5-13-23-18-10-8-17(9-11-18)14-22-12-6-7-19(22)20-15(2)21-24-16(20)3/h8-11,19H,4-7,12-14H2,1-3H3/t19-/m0/s1

InChI Key

OYCAJFUOQZHAEY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27215660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

2.622

Water Solubility, LogSw

-3.96

Polar Surface Area

33.381

Acid Dissociation Constant (pKa)

20.75

Base Dissociation Constant (pKb)

8.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

J006-1662 in Drug Discovery

Included in Screening Libraries

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 J006-1662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-1662?
Check Price and Availability of J006-1662, 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 J006-1662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-1662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-1662
  • 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 J006-1662 available by request