8015-6481 Screening compound: N~1~-[3-(4-isopropyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-4-oxo-3,4-dihydro-1-phthalazinecarboxamide

8015-6481 Screening compound: N~1~-[3-(4-isopropyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-4-oxo-3,4-dihydro-1-phthalazinecarboxamide
8015-6481 Screening compound: N~1~-[3-(4-isopropyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-4-oxo-3,4-dihydro-1-phthalazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6481
N~1~-[3-(4-isopropyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-4-oxo-3,4-dihydro-1-phthalazinecarboxamide

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

8015-6481

Molecular Formula

C24H27N3O4 (C24 H27 N3 O4)

Compound Name

N~1~-[3-(4-isopropyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-4-oxo-3,4-dihydro-1-phthalazinecarboxamide

IUPAC name

N-{3-[55-dimethyl-4-(propan-2-yl)-13-dioxan-2-yl]phenyl}-4-oxo-34-dihydrophthalazine-1-carboxamide

SMILES

CC(C)C1OC(c2cccc(NC(C(c3c4cccc3)=NNC4=O)=O)c2)OCC1(C)C

InChI

InChI=1S/C24H27N3O4/c1-14(2)20-24(3,4)13-30-23(31-20)15-8-7-9-16(12-15)25-22(29)19-17-10-5-6-11-18(17)21(28)27-26-19/h5-12,14,20,23H,13H2,1-4H3,(H,25,29)(H,27,28)

InChI Key

JYRKRXCUDRMUMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.810

Distribution Coefficient, logD

3.793

Water Solubility, LogSw

-3.98

Polar Surface Area

76.366

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

8015-6481 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8015-6481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6481?
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What is the minimum amount of 8015-6481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6481
  • 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 8015-6481 available by request