D315-1886 Screening compound: 2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)-N-(4-sulfamoylphenyl)benzene-1-sulfonamide

D315-1886 Screening compound: 2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)-N-(4-sulfamoylphenyl)benzene-1-sulfonamide
D315-1886 Screening compound: 2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)-N-(4-sulfamoylphenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D315-1886
2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)-N-(4-sulfamoylphenyl)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

D315-1886

Molecular Formula

C21H22N4O5S2 (C21 H22 N4 O5 S2)

Compound Name

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

IUPAC name

2-methyl-5-(4-oxo-345678-hexahydrophthalazin-1-yl)-N-(4-sulfamoylphenyl)benzene-1-sulfonamide

SMILES

Cc(ccc(C(C1=C2CCCC1)=NNC2=O)c1)c1S(Nc(cc1)ccc1S(N)(=O)=O)(=O)=O

InChI

InChI=1S/C21H22N4O5S2/c1-13-6-7-14(20-17-4-2-3-5-18(17)21(26)24-23-20)12-19(13)32(29,30)25-15-8-10-16(11-9-15)31(22,27)28/h6-12,25H,2-5H2,1H3,(H,24,26)(H2,22,27,28)

InChI Key

SYTROSSPBSFKHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.134

Distribution Coefficient, logD

1.391

Water Solubility, LogSw

-3.51

Polar Surface Area

127.803

Acid Dissociation Constant (pKa)

5.67

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D315-1886 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D315-1886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D315-1886?
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What is the minimum amount of D315-1886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D315-1886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D315-1886
  • 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 D315-1886 available by request