C034-0032 Screening compound: 4-[4-oxo-4-(4-phenylpiperazino)butyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

C034-0032 Screening compound: 4-[4-oxo-4-(4-phenylpiperazino)butyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
C034-0032 Screening compound: 4-[4-oxo-4-(4-phenylpiperazino)butyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C034-0032
4-[4-oxo-4-(4-phenylpiperazino)butyl]-4-azatricyclo[5.2.1.0~2,6~]dec-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

C034-0032

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

4-[4-oxo-4-(4-phenylpiperazino)butyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

O=C(CCCN(C(C1C2C3C=CC1C3)=O)C2=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C23H27N3O3/c27-19(25-13-11-24(12-14-25)18-5-2-1-3-6-18)7-4-10-26-22(28)20-16-8-9-17(15-16)21(20)23(26)29/h1-3,5-6,8-9,16-17,20-21H,4,7,10-15H2

InChI Key

XREYINAEXCJZKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.272

Distribution Coefficient, logD

1.272

Water Solubility, LogSw

-1.80

Polar Surface Area

49.967

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

52.20

C034-0032 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C034-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C034-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C034-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C034-0032
  • 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 C034-0032 available by request