C066-0675 Screening compound: methyl 2-(2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamido)acetate

C066-0675 Screening compound: methyl 2-(2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamido)acetate
C066-0675 Screening compound: methyl 2-(2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamido)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0675
methyl 2-(2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamido)acetate

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

C066-0675

Molecular Formula

C22H22N4O7 (C22 H22 N4 O7)

Compound Name

methyl 2-(2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamido)acetate

IUPAC name

methyl 2-(2-{[3-(34-dimethoxyphenyl)-4-oxo-34-dihydrophthalazin-1-yl]formamido}acetamido)acetate

SMILES

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

InChI

InChI=1S/C22H22N4O7/c1-31-16-9-8-13(10-17(16)32-2)26-22(30)15-7-5-4-6-14(15)20(25-26)21(29)24-11-18(27)23-12-19(28)33-3/h4-10H,11-12H2,1-3H3,(H,23,27)(H,24,29)

InChI Key

IUGILJFURDOHPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.073

Distribution Coefficient, logD

1.073

Water Solubility, LogSw

-2.43

Polar Surface Area

111.044

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C066-0675 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 C066-0675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0675?
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What is the minimum amount of C066-0675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0675
  • 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 C066-0675 available by request