D698-0048 Screening compound: ethyl 3-(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamido)benzoate

D698-0048 Screening compound: ethyl 3-(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamido)benzoate
D698-0048 Screening compound: ethyl 3-(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D698-0048
ethyl 3-(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamido)benzoate

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

D698-0048

Molecular Formula

C14H15N3O6S (C14 H15 N3 O6 S)

Compound Name

ethyl 3-(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamido)benzoate

IUPAC name

ethyl 3-(2-hydroxy-4-methyl-6-oxo-16-dihydropyrimidine-5-sulfonamido)benzoate

SMILES

CCOC(c1cccc(NS(C(C(N2)=O)=C(C)N=C2O)(=O)=O)c1)=O

InChI

InChI=1S/C14H15N3O6S/c1-3-23-13(19)9-5-4-6-10(7-9)17-24(21,22)11-8(2)15-14(20)16-12(11)18/h4-7,17H,3H2,1-2H3,(H2,15,16,18,20)

InChI Key

POBAGZNPJVIKGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.36

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.777

Distribution Coefficient, logD

-6.151

Water Solubility, LogSw

-2.33

Polar Surface Area

113.422

Acid Dissociation Constant (pKa)

0.47

Base Dissociation Constant (pKb)

-5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

D698-0048 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D698-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D698-0048?
Check Price and Availability of D698-0048, 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 D698-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D698-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D698-0048
  • 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 D698-0048 available by request