D698-0037 Screening compound: 2-hydroxy-4-methyl-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-6-oxo-1,6-dihydropyrimidine-5-sulfonamide

D698-0037 Screening compound: 2-hydroxy-4-methyl-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
D698-0037 Screening compound: 2-hydroxy-4-methyl-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-6-oxo-1,6-dihydropyrimidine-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D698-0037
2-hydroxy-4-methyl-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-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

D698-0037

Molecular Formula

C15H19N3O4S2 (C15 H19 N3 O4 S2)

Compound Name

2-hydroxy-4-methyl-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-6-oxo-1,6-dihydropyrimidine-5-sulfonamide

IUPAC name

2-hydroxy-4-methyl-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-6-oxo-16-dihydropyrimidine-5-sulfonamide

SMILES

Cc1cccc(CSCCNS(C(C(N2)=O)=C(C)N=C2O)(=O)=O)c1

InChI

InChI=1S/C15H19N3O4S2/c1-10-4-3-5-12(8-10)9-23-7-6-16-24(21,22)13-11(2)17-15(20)18-14(13)19/h3-5,8,16H,6-7,9H2,1-2H3,(H2,17,18,19,20)

InChI Key

UMBIURIZHZVTSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.274

Distribution Coefficient, logD

-5.363

Water Solubility, LogSw

-2.18

Polar Surface Area

93.619

Acid Dissociation Constant (pKa)

0.76

Base Dissociation Constant (pKb)

-6.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D698-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D698-0037?
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What is the minimum amount of D698-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D698-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D698-0037
  • 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 D698-0037 available by request