C066-0647 Screening compound: 3-(3,4-dimethoxyphenyl)-N~1~-{2-[4-(4-methoxyphenyl)piperazino]-2-oxoethyl}-4-oxo-3,4-dihydro-1-phthalazinecarboxamide

C066-0647 Screening compound: 3-(3,4-dimethoxyphenyl)-N~1~-{2-[4-(4-methoxyphenyl)piperazino]-2-oxoethyl}-4-oxo-3,4-dihydro-1-phthalazinecarboxamide
C066-0647 Screening compound: 3-(3,4-dimethoxyphenyl)-N~1~-{2-[4-(4-methoxyphenyl)piperazino]-2-oxoethyl}-4-oxo-3,4-dihydro-1-phthalazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0647
3-(3,4-dimethoxyphenyl)-N~1~-{2-[4-(4-methoxyphenyl)piperazino]-2-oxoethyl}-4-oxo-3,4-dihydro-1-phthalazinecarboxamide

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

C066-0647

Molecular Formula

C30H31N5O6 (C30 H31 N5 O6)

Compound Name

3-(3,4-dimethoxyphenyl)-N~1~-{2-[4-(4-methoxyphenyl)piperazino]-2-oxoethyl}-4-oxo-3,4-dihydro-1-phthalazinecarboxamide

IUPAC name

3-(34-dimethoxyphenyl)-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-oxo-34-dihydrophthalazine-1-carboxamide

SMILES

COc(cc1)ccc1N(CC1)CCN1C(CNC(C(c1c2cccc1)=NN(c(cc1)cc(OC)c1OC)C2=O)=O)=O

InChI

InChI=1S/C30H31N5O6/c1-39-22-11-8-20(9-12-22)33-14-16-34(17-15-33)27(36)19-31-29(37)28-23-6-4-5-7-24(23)30(38)35(32-28)21-10-13-25(40-2)26(18-21)41-3/h4-13,18H,14-17,19H2,1-3H3,(H,31,37)

InChI Key

UTLNVLYIGULDGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.673

Distribution Coefficient, logD

2.672

Water Solubility, LogSw

-3.34

Polar Surface Area

92.918

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

References: we are preparing a list of scientific research reports with C066-0647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0647?
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What is the minimum amount of C066-0647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0647
  • 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 C066-0647 available by request