C034-0629 Screening compound: 4-{3-oxo-3-[4-(2-pyridyl)piperazino]propyl}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

C034-0629 Screening compound: 4-{3-oxo-3-[4-(2-pyridyl)piperazino]propyl}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione
C034-0629 Screening compound: 4-{3-oxo-3-[4-(2-pyridyl)piperazino]propyl}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C034-0629
4-{3-oxo-3-[4-(2-pyridyl)piperazino]propyl}-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

C034-0629

Molecular Formula

C22H26N4O3 (C22 H26 N4 O3)

Compound Name

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

IUPAC name

4-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-4-azatricyclo[5.2.2.0^{26}]undec-8-ene-35-dione

SMILES

O=C(CCN(C(C1C(CC2)C=CC2C11)=O)C1=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C22H26N4O3/c27-18(25-13-11-24(12-14-25)17-3-1-2-9-23-17)8-10-26-21(28)19-15-4-5-16(7-6-15)20(19)22(26)29/h1-5,9,15-16,19-20H,6-8,10-14H2

InChI Key

ICVMZSGJSVUHPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.300

Distribution Coefficient, logD

1.291

Water Solubility, LogSw

-1.68

Polar Surface Area

57.747

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

54.54

C034-0629 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C034-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C034-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C034-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C034-0629
  • 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 C034-0629 available by request