D505-0155 Screening compound: 2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)-N-[(3-methylphenyl)methyl]benzene-1-sulfonamide

D505-0155 Screening compound: 2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)-N-[(3-methylphenyl)methyl]benzene-1-sulfonamide
D505-0155 Screening compound: 2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)-N-[(3-methylphenyl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D505-0155
2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)-N-[(3-methylphenyl)methyl]benzene-1-sulfonamide

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

D505-0155

Molecular Formula

C24H27N3O3S (C24 H27 N3 O3 S)

Compound Name

2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)-N-[(3-methylphenyl)methyl]benzene-1-sulfonamide

IUPAC name

2-methyl-5-(3-methyl-4-oxo-345678-hexahydrophthalazin-1-yl)-N-[(3-methylphenyl)methyl]benzene-1-sulfonamide

SMILES

Cc1cccc(CNS(c2c(C)ccc(C(C3=C4CCCC3)=NN(C)C4=O)c2)(=O)=O)c1

InChI

InChI=1S/C24H27N3O3S/c1-16-7-6-8-18(13-16)15-25-31(29,30)22-14-19(12-11-17(22)2)23-20-9-4-5-10-21(20)24(28)27(3)26-23/h6-8,11-14,25H,4-5,9-10,15H2,1-3H3

InChI Key

RNKUYOBUKJDOEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14859571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.131

Distribution Coefficient, logD

5.128

Water Solubility, LogSw

-4.90

Polar Surface Area

69.096

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D505-0155 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D505-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D505-0155?
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What is the minimum amount of D505-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D505-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D505-0155
  • 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 D505-0155 available by request