D505-1541 Screening compound: 2-{4-[4-methyl-3-(methylsulfamoyl)phenyl]-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl}-N-(3-methylphenyl)propanamide

D505-1541 Screening compound: 2-{4-[4-methyl-3-(methylsulfamoyl)phenyl]-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl}-N-(3-methylphenyl)propanamide
D505-1541 Screening compound: 2-{4-[4-methyl-3-(methylsulfamoyl)phenyl]-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl}-N-(3-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D505-1541
2-{4-[4-methyl-3-(methylsulfamoyl)phenyl]-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl}-N-(3-methylphenyl)propanamide

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

D505-1541

Molecular Formula

C26H30N4O4S (C26 H30 N4 O4 S)

Compound Name

2-{4-[4-methyl-3-(methylsulfamoyl)phenyl]-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl}-N-(3-methylphenyl)propanamide

IUPAC name

2-{4-[4-methyl-3-(methylsulfamoyl)phenyl]-1-oxo-125678-hexahydrophthalazin-2-yl}-N-(3-methylphenyl)propanamide

SMILES

CC(C(Nc1cc(C)ccc1)=O)N(C(C1=C2CCCC1)=O)N=C2c1cc(S(NC)(=O)=O)c(C)cc1

InChI

InChI=1S/C26H30N4O4S/c1-16-8-7-9-20(14-16)28-25(31)18(3)30-26(32)22-11-6-5-10-21(22)24(29-30)19-13-12-17(2)23(15-19)35(33,34)27-4/h7-9,12-15,18,27H,5-6,10-11H2,1-4H3,(H,28,31)/t18-/m0/s1

InChI Key

GCVINIOLGCUBLA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27589894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.552

Distribution Coefficient, logD

4.552

Water Solubility, LogSw

-4.27

Polar Surface Area

90.433

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with D505-1541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D505-1541?
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What is the minimum amount of D505-1541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D505-1541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D505-1541
  • 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 D505-1541 available by request