C066-0405 Screening compound: 3-(3-chloro-4-methoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-oxo-3,4-dihydrophthalazine-1-carboxamide

C066-0405 Screening compound: 3-(3-chloro-4-methoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-oxo-3,4-dihydrophthalazine-1-carboxamide
C066-0405 Screening compound: 3-(3-chloro-4-methoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-oxo-3,4-dihydrophthalazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0405
3-(3-chloro-4-methoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-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

C066-0405

Molecular Formula

C29H28ClN5O5 (C29 H28 ClN5 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1N(CC1)CCN1C(CNC(C(c1c2cccc1)=NN(c(cc1)cc(Cl)c1OC)C2=O)=O)=O

InChI

InChI=1S/C29H28ClN5O5/c1-39-24-12-11-19(17-22(24)30)35-29(38)21-8-4-3-7-20(21)27(32-35)28(37)31-18-26(36)34-15-13-33(14-16-34)23-9-5-6-10-25(23)40-2/h3-12,17H,13-16,18H2,1-2H3,(H,31,37)

InChI Key

ISLCROZEYIVSIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.287

Distribution Coefficient, logD

3.287

Water Solubility, LogSw

-3.69

Polar Surface Area

85.074

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C066-0405 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0405?
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What is the minimum amount of C066-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0405
  • 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 C066-0405 available by request