C066-0644 Screening compound: 3-(3,4-dimethoxyphenyl)-N-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide

C066-0644 Screening compound: 3-(3,4-dimethoxyphenyl)-N-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
C066-0644 Screening compound: 3-(3,4-dimethoxyphenyl)-N-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0644
3-(3,4-dimethoxyphenyl)-N-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-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

C066-0644

Molecular Formula

C26H28N4O7 (C26 H28 N4 O7)

Compound Name

3-(3,4-dimethoxyphenyl)-N-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide

IUPAC name

3-(34-dimethoxyphenyl)-N-(2-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-4-oxo-34-dihydrophthalazine-1-carboxamide

SMILES

COc(ccc(N1N=C(C(NCC(N(CC2)CCC22OCCO2)=O)=O)c(cccc2)c2C1=O)c1)c1OC

InChI

InChI=1S/C26H28N4O7/c1-34-20-8-7-17(15-21(20)35-2)30-25(33)19-6-4-3-5-18(19)23(28-30)24(32)27-16-22(31)29-11-9-26(10-12-29)36-13-14-37-26/h3-8,15H,9-14,16H2,1-2H3,(H,27,32)

InChI Key

NKAQVVCYXZGZLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.996

Distribution Coefficient, logD

0.996

Water Solubility, LogSw

-2.36

Polar Surface Area

96.551

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C066-0644 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C066-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0644?
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What is the minimum amount of C066-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0644
  • 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 C066-0644 available by request