C066-0097 Screening compound: N-(3-CHLORO-4-METHOXYPHENYL)-4-OXO-3,4-DIHYDROPHTHALAZINE-1-CARBOXAMIDE

C066-0097 Screening compound: N-(3-CHLORO-4-METHOXYPHENYL)-4-OXO-3,4-DIHYDROPHTHALAZINE-1-CARBOXAMIDE
C066-0097 Screening compound: N-(3-CHLORO-4-METHOXYPHENYL)-4-OXO-3,4-DIHYDROPHTHALAZINE-1-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0097
N-(3-CHLORO-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

C066-0097

Molecular Formula

C16H12ClN3O3 (C16 H12 ClN3 O3)

Compound Name

N-(3-CHLORO-4-METHOXYPHENYL)-4-OXO-3,4-DIHYDROPHTHALAZINE-1-CARBOXAMIDE

IUPAC name

N-(3-chloro-4-methoxyphenyl)-4-oxo-34-dihydrophthalazine-1-carboxamide

SMILES

COc(ccc(NC(C(c1c2cccc1)=NNC2=O)=O)c1)c1Cl

InChI

InChI=1S/C16H12ClN3O3/c1-23-13-7-6-9(8-12(13)17)18-16(22)14-10-4-2-3-5-11(10)15(21)20-19-14/h2-8H,1H3,(H,18,22)(H,20,21)

InChI Key

MJFUWNHWSGRBTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07703835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.611

Distribution Coefficient, logD

2.534

Water Solubility, LogSw

-3.60

Polar Surface Area

67.351

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with C066-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0097?
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What is the minimum amount of C066-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0097
  • 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 C066-0097 available by request