D668-0336 Screening compound: 2-hydroxy-4-methyl-6-oxo-N-[2-(phenylsulfanyl)phenyl]-1,6-dihydropyrimidine-5-sulfonamide

D668-0336 Screening compound: 2-hydroxy-4-methyl-6-oxo-N-[2-(phenylsulfanyl)phenyl]-1,6-dihydropyrimidine-5-sulfonamide
D668-0336 Screening compound: 2-hydroxy-4-methyl-6-oxo-N-[2-(phenylsulfanyl)phenyl]-1,6-dihydropyrimidine-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D668-0336
2-hydroxy-4-methyl-6-oxo-N-[2-(phenylsulfanyl)phenyl]-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

D668-0336

Molecular Formula

C17H15N3O4S2 (C17 H15 N3 O4 S2)

Compound Name

2-hydroxy-4-methyl-6-oxo-N-[2-(phenylsulfanyl)phenyl]-1,6-dihydropyrimidine-5-sulfonamide

IUPAC name

2-hydroxy-4-methyl-6-oxo-N-[2-(phenylsulfanyl)phenyl]-16-dihydropyrimidine-5-sulfonamide

SMILES

CC(N=C(NC1=O)O)=C1S(Nc(cccc1)c1Sc1ccccc1)(=O)=O

InChI

InChI=1S/C17H15N3O4S2/c1-11-15(16(21)19-17(22)18-11)26(23,24)20-13-9-5-6-10-14(13)25-12-7-3-2-4-8-12/h2-10,20H,1H3,(H2,18,19,21,22)

InChI Key

UUXXYJMPQUFEMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.738

Distribution Coefficient, logD

-5.190

Water Solubility, LogSw

-2.51

Polar Surface Area

91.699

Acid Dissociation Constant (pKa)

0.47

Base Dissociation Constant (pKb)

-5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

D668-0336 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 D668-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D668-0336?
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What is the minimum amount of D668-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D668-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D668-0336
  • 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 D668-0336 available by request