C522-1961 Screening compound: 1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}piperidine-4-carboxamide

C522-1961 Screening compound: 1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}piperidine-4-carboxamide
C522-1961 Screening compound: 1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C522-1961
1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}piperidine-4-carboxamide

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

C522-1961

Molecular Formula

C30H37ClFN5O2 (C30 H37 ClFN5 O2)

Compound Name

1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}piperidine-4-carboxamide

IUPAC name

1-{[2-(3-chlorophenyl)-5-methyl-13-oxazol-4-yl]methyl}-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}piperidine-4-carboxamide

SMILES

Cc1c(CN(CC2)CCC2C(NCCCN(CC2)CCN2c(cccc2)c2F)=O)nc(-c2cccc(Cl)c2)o1

InChI

InChI=1S/C30H37ClFN5O2/c1-22-27(34-30(39-22)24-6-4-7-25(31)20-24)21-36-14-10-23(11-15-36)29(38)33-12-5-13-35-16-18-37(19-17-35)28-9-3-2-8-26(28)32/h2-4,6-9,20,23H,5,10-19,21H2,1H3,(H,33,38)

InChI Key

RCYJPGALURMVCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.11

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.191

Distribution Coefficient, logD

3.232

Water Solubility, LogSw

-4.39

Polar Surface Area

53.290

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

C522-1961 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C522-1961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C522-1961?
Check Price and Availability of C522-1961, 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 C522-1961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C522-1961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C522-1961
  • 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 C522-1961 available by request