5498-2734 Screening compound: ethyl 2-[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamido]acetate

5498-2734 Screening compound: ethyl 2-[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamido]acetate
5498-2734 Screening compound: ethyl 2-[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5498-2734
ethyl 2-[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamido]acetate

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

5498-2734

Molecular Formula

C20H21N3O5S (C20 H21 N3 O5 S)

Compound Name

ethyl 2-[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamido]acetate

IUPAC name

ethyl 2-[2-methyl-5-(3-methyl-4-oxo-34-dihydrophthalazin-1-yl)benzenesulfonamido]acetate

SMILES

CCOC(CNS(c1c(C)ccc(C(c2c3cccc2)=NN(C)C3=O)c1)(=O)=O)=O

InChI

InChI=1S/C20H21N3O5S/c1-4-28-18(24)12-21-29(26,27)17-11-14(10-9-13(17)2)19-15-7-5-6-8-16(15)20(25)23(3)22-19/h5-11,21H,4,12H2,1-3H3

InChI Key

SCNANPLSNGDYJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03678171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.421

Distribution Coefficient, logD

2.419

Water Solubility, LogSw

-2.93

Polar Surface Area

89.334

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5498-2734 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5498-2734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5498-2734?
Check Price and Availability of 5498-2734, 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 5498-2734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5498-2734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5498-2734
  • 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 5498-2734 available by request