C522-1899 Screening compound: N-(4-CHLOROPHENETHYL)-1-{[2-(3-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-4-PIPERIDINECARBOXAMIDE

C522-1899 Screening compound: N-(4-CHLOROPHENETHYL)-1-{[2-(3-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-4-PIPERIDINECARBOXAMIDE
C522-1899 Screening compound: N-(4-CHLOROPHENETHYL)-1-{[2-(3-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-4-PIPERIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C522-1899
N-(4-CHLOROPHENETHYL)-1-{[2-(3-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-4-PIPERIDINECARBOXAMIDE

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

C522-1899

Molecular Formula

C25H27Cl2N3O2 (C25 H27 Cl2 N3 O2)

Compound Name

N-(4-CHLOROPHENETHYL)-1-{[2-(3-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-4-PIPERIDINECARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1c(CN(CC2)CCC2C(NCCc(cc2)ccc2Cl)=O)nc(-c2cccc(Cl)c2)o1

InChI

InChI=1S/C25H27Cl2N3O2/c1-17-23(29-25(32-17)20-3-2-4-22(27)15-20)16-30-13-10-19(11-14-30)24(31)28-12-9-18-5-7-21(26)8-6-18/h2-8,15,19H,9-14,16H2,1H3,(H,28,31)

InChI Key

RZVFJQZYZGACBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.615

Distribution Coefficient, logD

3.655

Water Solubility, LogSw

-4.68

Polar Surface Area

46.348

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C522-1899 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Proteases Annotated Library (2868 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C522-1899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C522-1899?
Check Price and Availability of C522-1899, 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 C522-1899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C522-1899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C522-1899
  • 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 C522-1899 available by request