6216-0089 Screening compound: N-{[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}-4-methylbenzamide

6216-0089 Screening compound: N-{[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}-4-methylbenzamide
6216-0089 Screening compound: N-{[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6216-0089
N-{[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}-4-methylbenzamide

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

6216-0089

Molecular Formula

C25H23N3O3 (C25 H23 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(NCc(cc(cc1)C(c2c3cccc2)=NN(C)C3=O)c1OC)=O

InChI

InChI=1S/C25H23N3O3/c1-16-8-10-17(11-9-16)24(29)26-15-19-14-18(12-13-22(19)31-3)23-20-6-4-5-7-21(20)25(30)28(2)27-23/h4-14H,15H2,1-3H3,(H,26,29)

InChI Key

YDRFAFFONINRRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04195342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

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

3.852

Distribution Coefficient, logD

3.852

Water Solubility, LogSw

-3.91

Polar Surface Area

59.190

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

6216-0089 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6216-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6216-0089?
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What is the minimum amount of 6216-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6216-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6216-0089
  • 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 6216-0089 available by request