D698-0055 Screening compound: 2-(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamido)-N-(prop-2-en-1-yl)benzamide

D698-0055 Screening compound: 2-(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamido)-N-(prop-2-en-1-yl)benzamide
D698-0055 Screening compound: 2-(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamido)-N-(prop-2-en-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D698-0055
2-(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamido)-N-(prop-2-en-1-yl)benzamide

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

D698-0055

Molecular Formula

C15H16N4O5S (C15 H16 N4 O5 S)

Compound Name

2-(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamido)-N-(prop-2-en-1-yl)benzamide

IUPAC name

2-(2-hydroxy-4-methyl-6-oxo-16-dihydropyrimidine-5-sulfonamido)-N-(prop-2-en-1-yl)benzamide

SMILES

CC(N=C(NC1=O)O)=C1S(Nc(cccc1)c1C(NCC=C)=O)(=O)=O

InChI

InChI=1S/C15H16N4O5S/c1-3-8-16-13(20)10-6-4-5-7-11(10)19-25(23,24)12-9(2)17-15(22)18-14(12)21/h3-7,19H,1,8H2,2H3,(H,16,20)(H2,17,18,21,22)

InChI Key

JWRMJGJADMAOIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.507

Distribution Coefficient, logD

-7.435

Water Solubility, LogSw

-2.21

Polar Surface Area

116.497

Acid Dissociation Constant (pKa)

0.47

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D698-0055 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D698-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D698-0055?
Check Price and Availability of D698-0055, 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 D698-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D698-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D698-0055
  • 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 D698-0055 available by request