D315-1914 Screening compound: 2-methyl-N-[3-(methylsulfanyl)phenyl]-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide

D315-1914 Screening compound: 2-methyl-N-[3-(methylsulfanyl)phenyl]-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide
D315-1914 Screening compound: 2-methyl-N-[3-(methylsulfanyl)phenyl]-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D315-1914
2-methyl-N-[3-(methylsulfanyl)phenyl]-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)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

D315-1914

Molecular Formula

C22H23N3O3S2 (C22 H23 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(C(C1=C2CCCC1)=NNC2=O)c1)c1S(Nc1cc(SC)ccc1)(=O)=O

InChI

InChI=1S/C22H23N3O3S2/c1-14-10-11-15(21-18-8-3-4-9-19(18)22(26)24-23-21)12-20(14)30(27,28)25-16-6-5-7-17(13-16)29-2/h5-7,10-13,25H,3-4,8-9H2,1-2H3,(H,24,26)

InChI Key

QOHWPBRCRCKCIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.201

Distribution Coefficient, logD

5.087

Water Solubility, LogSw

-4.90

Polar Surface Area

77.200

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with D315-1914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D315-1914?
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What is the minimum amount of D315-1914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D315-1914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D315-1914
  • 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 D315-1914 available by request