D668-0094 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide

D668-0094 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
D668-0094 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D668-0094
N-(3-chloro-4-methoxyphenyl)-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

D668-0094

Molecular Formula

C11H10ClN3O5S (C11 H10 ClN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(NS(C(C(N1)=O)=CN=C1O)(=O)=O)c1)c1Cl

InChI

InChI=1S/C11H10ClN3O5S/c1-20-8-3-2-6(4-7(8)12)15-21(18,19)9-5-13-11(17)14-10(9)16/h2-5,15H,1H3,(H2,13,14,16,17)

InChI Key

XITDTUDPYWAYNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.74

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.392

Distribution Coefficient, logD

-6.760

Water Solubility, LogSw

-2.68

Polar Surface Area

100.636

Acid Dissociation Constant (pKa)

0.25

Base Dissociation Constant (pKb)

-5.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with D668-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D668-0094?
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What is the minimum amount of D668-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D668-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D668-0094
  • 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 D668-0094 available by request