Y041-5528 Screening compound: 3-methyl-N-[(oxan-4-yl)methyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide

Y041-5528 Screening compound: 3-methyl-N-[(oxan-4-yl)methyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Y041-5528 Screening compound: 3-methyl-N-[(oxan-4-yl)methyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5528
3-methyl-N-[(oxan-4-yl)methyl]-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

Y041-5528

Molecular Formula

C16H19N3O3 (C16 H19 N3 O3)

Compound Name

3-methyl-N-[(oxan-4-yl)methyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide

IUPAC name

3-methyl-N-[(oxan-4-yl)methyl]-4-oxo-34-dihydrophthalazine-1-carboxamide

SMILES

CN1N=C(C(NCC2CCOCC2)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C16H19N3O3/c1-19-16(21)13-5-3-2-4-12(13)14(18-19)15(20)17-10-11-6-8-22-9-7-11/h2-5,11H,6-10H2,1H3,(H,17,20)

InChI Key

JEUPBYNLCGKCEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22202600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.825

Distribution Coefficient, logD

0.825

Water Solubility, LogSw

-2.04

Polar Surface Area

59.931

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

Y041-5528 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y041-5528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5528?
Check Price and Availability of Y041-5528, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y041-5528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5528
  • 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 Y041-5528 available by request