C066-0634 Screening compound: 3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide

C066-0634 Screening compound: 3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide
C066-0634 Screening compound: 3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0634
3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide

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

C066-0634

Molecular Formula

C26H30N4O5 (C26 H30 N4 O5)

Compound Name

3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide

IUPAC name

3-(34-dimethoxyphenyl)-N-[2-(35-dimethylpiperidin-1-yl)-2-oxoethyl]-4-oxo-34-dihydrophthalazine-1-carboxamide

SMILES

CC(CC(C)C1)CN1C(CNC(C(c1c2cccc1)=NN(c(cc1)cc(OC)c1OC)C2=O)=O)=O

InChI

InChI=1S/C26H30N4O5/c1-16-11-17(2)15-29(14-16)23(31)13-27-25(32)24-19-7-5-6-8-20(19)26(33)30(28-24)18-9-10-21(34-3)22(12-18)35-4/h5-10,12,16-17H,11,13-15H2,1-4H3,(H,27,32)

InChI Key

HPBNFEIRCAIUGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.849

Distribution Coefficient, logD

2.849

Water Solubility, LogSw

-3.61

Polar Surface Area

81.981

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.50

C066-0634 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C066-0634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0634?
Check Price and Availability of C066-0634, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C066-0634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0634
  • 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 C066-0634 available by request