D668-0149 Screening compound: N-(2-benzoyl-4-chlorophenyl)-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide

D668-0149 Screening compound: N-(2-benzoyl-4-chlorophenyl)-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
D668-0149 Screening compound: N-(2-benzoyl-4-chlorophenyl)-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D668-0149
N-(2-benzoyl-4-chlorophenyl)-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-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

D668-0149

Molecular Formula

C17H12ClN3O5S (C17 H12 ClN3 O5 S)

Compound Name

N-(2-benzoyl-4-chlorophenyl)-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide

IUPAC name

N-(2-benzoyl-4-chlorophenyl)-2-hydroxy-6-oxo-16-dihydropyrimidine-5-sulfonamide

SMILES

OC(NC1=O)=NC=C1S(Nc(ccc(Cl)c1)c1C(c1ccccc1)=O)(=O)=O

InChI

InChI=1S/C17H12ClN3O5S/c18-11-6-7-13(12(8-11)15(22)10-4-2-1-3-5-10)21-27(25,26)14-9-19-17(24)20-16(14)23/h1-9,21H,(H2,19,20,23,24)

InChI Key

VDCXOIXVXMEUKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.82

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.630

Distribution Coefficient, logD

-5.522

Water Solubility, LogSw

-3.07

Polar Surface Area

105.775

Acid Dissociation Constant (pKa)

0.25

Base Dissociation Constant (pKb)

-5.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D668-0149 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with D668-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D668-0149?
Check Price and Availability of D668-0149, 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 D668-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D668-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D668-0149
  • 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 D668-0149 available by request