D668-0074 Screening compound: N-(3-chloro-4-fluorophenyl)-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide

D668-0074 Screening compound: N-(3-chloro-4-fluorophenyl)-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
D668-0074 Screening compound: N-(3-chloro-4-fluorophenyl)-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D668-0074
N-(3-chloro-4-fluorophenyl)-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

D668-0074

Molecular Formula

C10H7ClFN3O4S (C10 H7 ClFN3 O4 S)

Compound Name

N-(3-chloro-4-fluorophenyl)-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-hydroxy-6-oxo-16-dihydropyrimidine-5-sulfonamide

SMILES

OC(NC1=O)=NC=C1S(Nc(cc1)cc(Cl)c1F)(=O)=O

InChI

InChI=1S/C10H7ClFN3O4S/c11-6-3-5(1-2-7(6)12)15-20(18,19)8-4-13-10(17)14-9(8)16/h1-4,15H,(H2,13,14,16,17)

InChI Key

FJRWHSIYWZMFRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18488265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.612

Distribution Coefficient, logD

-6.540

Water Solubility, LogSw

-2.72

Polar Surface Area

93.006

Acid Dissociation Constant (pKa)

0.25

Base Dissociation Constant (pKb)

-5.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D668-0074 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D668-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D668-0074?
Check Price and Availability of D668-0074, 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 D668-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D668-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D668-0074
  • 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 D668-0074 available by request