C533-1427 Screening compound: N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C533-1427 Screening compound: N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
C533-1427 Screening compound: N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C533-1427
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-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

C533-1427

Molecular Formula

C24H32ClN3O3 (C24 H32 ClN3 O3)

Compound Name

N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

IUPAC name

N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

SMILES

CC(C(OC12CCCCC2)=O)=C1C(NCCN(CC1)CCN1c1c(C)ccc(Cl)c1)=O

InChI

InChI=1S/C24H32ClN3O3/c1-17-6-7-19(25)16-20(17)28-14-12-27(13-15-28)11-10-26-22(29)21-18(2)23(30)31-24(21)8-4-3-5-9-24/h6-7,16H,3-5,8-15H2,1-2H3,(H,26,29)

InChI Key

CCMXDLBHIIKOKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.989

Distribution Coefficient, logD

2.958

Water Solubility, LogSw

-4.41

Polar Surface Area

52.261

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

8.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.33

References: we are preparing a list of scientific research reports with C533-1427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C533-1427?
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What is the minimum amount of C533-1427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C533-1427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C533-1427
  • 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 C533-1427 available by request