C075-0234 Screening compound: N-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide

C075-0234 Screening compound: N-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
C075-0234 Screening compound: N-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C075-0234
N-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3-(4-methoxyphenyl)-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

C075-0234

Molecular Formula

C25H26N4O6 (C25 H26 N4 O6)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N1N=C(C(NCC(N(CC2)CCC22OCCO2)=O)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C25H26N4O6/c1-33-18-8-6-17(7-9-18)29-24(32)20-5-3-2-4-19(20)22(27-29)23(31)26-16-21(30)28-12-10-25(11-13-28)34-14-15-35-25/h2-9H,10-16H2,1H3,(H,26,31)

InChI Key

FRXYZXQAKGWAAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14717763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.316

Distribution Coefficient, logD

1.316

Water Solubility, LogSw

-2.21

Polar Surface Area

88.834

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C075-0234 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 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 C075-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C075-0234?
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What is the minimum amount of C075-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C075-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C075-0234
  • 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 C075-0234 available by request