C066-0592 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(propan-2-yl)acetamide

C066-0592 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(propan-2-yl)acetamide
C066-0592 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0592
2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(propan-2-yl)acetamide

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

C066-0592

Molecular Formula

C22H24N4O5 (C22 H24 N4 O5)

Compound Name

2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(propan-2-yl)acetamide

IUPAC name

2-{[3-(34-dimethoxyphenyl)-4-oxo-34-dihydrophthalazin-1-yl]formamido}-N-(propan-2-yl)acetamide

SMILES

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

InChI

InChI=1S/C22H24N4O5/c1-13(2)24-19(27)12-23-21(28)20-15-7-5-6-8-16(15)22(29)26(25-20)14-9-10-17(30-3)18(11-14)31-4/h5-11,13H,12H2,1-4H3,(H,23,28)(H,24,27)

InChI Key

VGLBZLYPYHFNNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.893

Distribution Coefficient, logD

1.893

Water Solubility, LogSw

-2.87

Polar Surface Area

89.439

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C066-0592 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C066-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0592?
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What is the minimum amount of C066-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0592
  • 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 C066-0592 available by request