4109-2082 Screening compound: 2-methyl-N-(4-methylphenyl)-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzene-1-sulfonamide

4109-2082 Screening compound: 2-methyl-N-(4-methylphenyl)-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzene-1-sulfonamide
4109-2082 Screening compound: 2-methyl-N-(4-methylphenyl)-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4109-2082
2-methyl-N-(4-methylphenyl)-5-(4-oxo-3,4-dihydrophthalazin-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

4109-2082

Molecular Formula

C22H19N3O3S (C22 H19 N3 O3 S)

Compound Name

2-methyl-N-(4-methylphenyl)-5-(4-oxo-3,4-dihydrophthalazin-1-yl)benzene-1-sulfonamide

IUPAC name

n/a

SMILES

Cc(cc1)ccc1NS(c1c(C)ccc(C(c2c3cccc2)=NNC3=O)c1)(=O)=O

InChI

InChI=1S/C22H19N3O3S/c1-14-7-11-17(12-8-14)25-29(27,28)20-13-16(10-9-15(20)2)21-18-5-3-4-6-19(18)22(26)24-23-21/h3-13,25H,1-2H3,(H,24,26)

InChI Key

HOELVSRRUUVYRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02236869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.331

Distribution Coefficient, logD

4.231

Water Solubility, LogSw

-4.28

Polar Surface Area

77.008

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4109-2082 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4109-2082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4109-2082?
Check Price and Availability of 4109-2082, 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 4109-2082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4109-2082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4109-2082
  • 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 4109-2082 available by request