C034-0515 Screening compound: 4-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

C034-0515 Screening compound: 4-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione
C034-0515 Screening compound: 4-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C034-0515
4-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-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

C034-0515

Molecular Formula

C21H24N4O3 (C21 H24 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H24N4O3/c26-17(24-11-9-23(10-12-24)16-3-1-2-8-22-16)13-25-20(27)18-14-4-5-15(7-6-14)19(18)21(25)28/h1-5,8,14-15,18-19H,6-7,9-13H2

InChI Key

NJVOPHYTJIHNCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.043

Distribution Coefficient, logD

1.034

Water Solubility, LogSw

-1.80

Polar Surface Area

57.768

Acid Dissociation Constant (pKa)

18.61

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

52.38

C034-0515 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C034-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C034-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C034-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C034-0515
  • 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 C034-0515 available by request