C082-0530 Screening compound: 4-{3-[4-(3-methoxyphenyl)piperazino]-3-oxopropyl}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

C082-0530 Screening compound: 4-{3-[4-(3-methoxyphenyl)piperazino]-3-oxopropyl}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione
C082-0530 Screening compound: 4-{3-[4-(3-methoxyphenyl)piperazino]-3-oxopropyl}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C082-0530
4-{3-[4-(3-methoxyphenyl)piperazino]-3-oxopropyl}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

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

C082-0530

Molecular Formula

C24H29N3O4 (C24 H29 N3 O4)

Compound Name

4-{3-[4-(3-methoxyphenyl)piperazino]-3-oxopropyl}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

IUPAC name

4-{3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-4-azatricyclo[5.2.2.0^{26}]undec-8-ene-35-dione

SMILES

COc1cccc(N(CC2)CCN2C(CCN(C(C2C(CC3)C=CC3C22)=O)C2=O)=O)c1

InChI

InChI=1S/C24H29N3O4/c1-31-19-4-2-3-18(15-19)25-11-13-26(14-12-25)20(28)9-10-27-23(29)21-16-5-6-17(8-7-16)22(21)24(27)30/h2-6,15-17,21-22H,7-14H2,1H3

InChI Key

JHFNPOIGCNSFDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14717917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.740

Distribution Coefficient, logD

1.740

Water Solubility, LogSw

-2.11

Polar Surface Area

56.779

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

54.20

C082-0530 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with C082-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C082-0530?
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What is the minimum amount of C082-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C082-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C082-0530
  • 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 C082-0530 available by request