D262-1050 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-methylphenyl)-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl]acetamide

D262-1050 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-methylphenyl)-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl]acetamide
D262-1050 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-methylphenyl)-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D262-1050
N-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-methylphenyl)-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl]acetamide

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

D262-1050

Molecular Formula

C24H23N3O4 (C24 H23 N3 O4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-methylphenyl)-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl]acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[4-(4-methylphenyl)-1-oxo-125678-hexahydrophthalazin-2-yl]acetamide

SMILES

Cc(cc1)ccc1C(C1=C2CCCC1)=NN(CC(Nc(cc1)cc3c1OCO3)=O)C2=O

InChI

InChI=1S/C24H23N3O4/c1-15-6-8-16(9-7-15)23-18-4-2-3-5-19(18)24(29)27(26-23)13-22(28)25-17-10-11-20-21(12-17)31-14-30-20/h6-12H,2-5,13-14H2,1H3,(H,25,28)

InChI Key

VYUUPQBMZGWNOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11852387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.499

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.30

Polar Surface Area

67.652

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D262-1050 in Drug Discovery

Included in Screening Libraries

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

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D262-1050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D262-1050?
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What is the minimum amount of D262-1050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D262-1050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D262-1050
  • 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 D262-1050 available by request