6216-0087 Screening compound: 2-chloro-N-{[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}benzamide

6216-0087 Screening compound: 2-chloro-N-{[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}benzamide
6216-0087 Screening compound: 2-chloro-N-{[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6216-0087
2-chloro-N-{[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}benzamide

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

6216-0087

Molecular Formula

C24H20ClN3O3 (C24 H20 ClN3 O3)

Compound Name

2-chloro-N-{[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}benzamide

IUPAC name

2-chloro-N-{[2-methoxy-5-(3-methyl-4-oxo-34-dihydrophthalazin-1-yl)phenyl]methyl}benzamide

SMILES

CN1N=C(c(cc2)cc(CNC(c(cccc3)c3Cl)=O)c2OC)c(cccc2)c2C1=O

InChI

InChI=1S/C24H20ClN3O3/c1-28-24(30)18-8-4-3-7-17(18)22(27-28)15-11-12-21(31-2)16(13-15)14-26-23(29)19-9-5-6-10-20(19)25/h3-13H,14H2,1-2H3,(H,26,29)

InChI Key

YQXIKBNMIXNMIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04159468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.182

Distribution Coefficient, logD

4.181

Water Solubility, LogSw

-4.45

Polar Surface Area

59.190

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6216-0087 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6216-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6216-0087?
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What is the minimum amount of 6216-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6216-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6216-0087
  • 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 6216-0087 available by request