C522-4899 Screening compound: 1-(1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-3-carbonyl)-4-(2,5-dimethylphenyl)piperazine

C522-4899 Screening compound: 1-(1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-3-carbonyl)-4-(2,5-dimethylphenyl)piperazine
C522-4899 Screening compound: 1-(1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-3-carbonyl)-4-(2,5-dimethylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C522-4899
1-(1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-3-carbonyl)-4-(2,5-dimethylphenyl)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

C522-4899

Molecular Formula

C29H35ClN4O2 (C29 H35 ClN4 O2)

Compound Name

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

IUPAC name

1-(1-{[2-(3-chlorophenyl)-5-methyl-13-oxazol-4-yl]methyl}piperidine-3-carbonyl)-4-(25-dimethylphenyl)piperazine

SMILES

Cc1c(CN(CCC2)CC2C(N(CC2)CCN2c2c(C)ccc(C)c2)=O)nc(-c2cccc(Cl)c2)o1

InChI

InChI=1S/C29H35ClN4O2/c1-20-9-10-21(2)27(16-20)33-12-14-34(15-13-33)29(35)24-7-5-11-32(18-24)19-26-22(3)36-28(31-26)23-6-4-8-25(30)17-23/h4,6,8-10,16-17,24H,5,7,11-15,18-19H2,1-3H3/t24-/m0/s1

InChI Key

ZXPOFMKVXXTLDN-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14765951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.08

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

5.479

Distribution Coefficient, logD

5.438

Water Solubility, LogSw

-5.85

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

44.80

C522-4899 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Akt-Targeted Library (14764 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
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with C522-4899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C522-4899?
Check Price and Availability of C522-4899, 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 C522-4899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C522-4899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C522-4899
  • 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 C522-4899 available by request