J006-1660 Screening compound: 3-{1-[(4-butoxyphenyl)methyl]pyrrolidin-2-yl}-5-propyl-1,2-oxazole

J006-1660 Screening compound: 3-{1-[(4-butoxyphenyl)methyl]pyrrolidin-2-yl}-5-propyl-1,2-oxazole
J006-1660 Screening compound: 3-{1-[(4-butoxyphenyl)methyl]pyrrolidin-2-yl}-5-propyl-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-1660
3-{1-[(4-butoxyphenyl)methyl]pyrrolidin-2-yl}-5-propyl-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

J006-1660

Molecular Formula

C21H30N2O2 (C21 H30 N2 O2)

Compound Name

3-{1-[(4-butoxyphenyl)methyl]pyrrolidin-2-yl}-5-propyl-1,2-oxazole

IUPAC name

3-{1-[(4-butoxyphenyl)methyl]pyrrolidin-2-yl}-5-propyl-12-oxazole

SMILES

CCCCOc1ccc(CN(CCC2)C2c2noc(CCC)c2)cc1

InChI

InChI=1S/C21H30N2O2/c1-3-5-14-24-18-11-9-17(10-12-18)16-23-13-6-8-21(23)20-15-19(7-4-2)25-22-20/h9-12,15,21H,3-8,13-14,16H2,1-2H3/t21-/m0/s1

InChI Key

QZUALGBKZHENRR-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27215659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.385

Distribution Coefficient, logD

4.206

Water Solubility, LogSw

-5.32

Polar Surface Area

32.320

Acid Dissociation Constant (pKa)

26.47

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

J006-1660 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with J006-1660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-1660?
Check Price and Availability of J006-1660, 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 J006-1660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-1660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-1660
  • 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 J006-1660 available by request