C533-1169 Screening compound: 4-{[4-(5-chloro-2-methylphenyl)piperazino]carbonyl}-3,8-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one

C533-1169 Screening compound: 4-{[4-(5-chloro-2-methylphenyl)piperazino]carbonyl}-3,8-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one
C533-1169 Screening compound: 4-{[4-(5-chloro-2-methylphenyl)piperazino]carbonyl}-3,8-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C533-1169
4-{[4-(5-chloro-2-methylphenyl)piperazino]carbonyl}-3,8-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one

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

C533-1169

Molecular Formula

C23H29ClN2O3 (C23 H29 ClN2 O3)

Compound Name

4-{[4-(5-chloro-2-methylphenyl)piperazino]carbonyl}-3,8-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one

IUPAC name

4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-38-dimethyl-1-oxaspiro[4.5]dec-3-en-2-one

SMILES

CC(CC1)CCC1(C(C(N(CC1)CCN1c1c(C)ccc(Cl)c1)=O)=C1C)OC1=O

InChI

InChI=1S/C23H29ClN2O3/c1-15-6-8-23(9-7-15)20(17(3)22(28)29-23)21(27)26-12-10-25(11-13-26)19-14-18(24)5-4-16(19)2/h4-5,14-15H,6-13H2,1-3H3

InChI Key

UFVFYKNZZQKGCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.948

Distribution Coefficient, logD

4.948

Water Solubility, LogSw

-4.97

Polar Surface Area

40.672

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.52

C533-1169 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C533-1169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C533-1169?
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What is the minimum amount of C533-1169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C533-1169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C533-1169
  • 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 C533-1169 available by request