C522-4900 Screening compound: 1-(5-chloro-2-methylphenyl)-4-(1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-3-carbonyl)piperazine

C522-4900 Screening compound: 1-(5-chloro-2-methylphenyl)-4-(1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-3-carbonyl)piperazine
C522-4900 Screening compound: 1-(5-chloro-2-methylphenyl)-4-(1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-3-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C522-4900
1-(5-chloro-2-methylphenyl)-4-(1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-3-carbonyl)piperazine

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

C522-4900

Molecular Formula

C28H32Cl2N4O2 (C28 H32 Cl2 N4 O2)

Compound Name

1-(5-chloro-2-methylphenyl)-4-(1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-3-carbonyl)piperazine

IUPAC name

1-(5-chloro-2-methylphenyl)-4-(1-{[2-(3-chlorophenyl)-5-methyl-13-oxazol-4-yl]methyl}piperidine-3-carbonyl)piperazine

SMILES

Cc1c(CN(CCC2)CC2C(N(CC2)CCN2c2c(C)ccc(Cl)c2)=O)nc(-c2cc(Cl)ccc2)o1

InChI

InChI=1S/C28H32Cl2N4O2/c1-19-8-9-24(30)16-26(19)33-11-13-34(14-12-33)28(35)22-6-4-10-32(17-22)18-25-20(2)36-27(31-25)21-5-3-7-23(29)15-21/h3,5,7-9,15-16,22H,4,6,10-14,17-18H2,1-2H3/t22-/m0/s1

InChI Key

RMTPABMEPSZLAP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14765952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.603

Distribution Coefficient, logD

5.562

Water Solubility, LogSw

-5.84

Polar Surface Area

41.634

Acid Dissociation Constant (pKa)

22.70

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

C522-4900 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C522-4900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C522-4900?
Check Price and Availability of C522-4900, 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 C522-4900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C522-4900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C522-4900
  • 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 C522-4900 available by request