D668-0105 Screening compound: N-benzyl-2-hydroxy-N-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide

D668-0105 Screening compound: N-benzyl-2-hydroxy-N-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
D668-0105 Screening compound: N-benzyl-2-hydroxy-N-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D668-0105
N-benzyl-2-hydroxy-N-methyl-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

D668-0105

Molecular Formula

C12H13N3O4S (C12 H13 N3 O4 S)

Compound Name

N-benzyl-2-hydroxy-N-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide

IUPAC name

N-benzyl-2-hydroxy-N-methyl-6-oxo-16-dihydropyrimidine-5-sulfonamide

SMILES

CN(Cc1ccccc1)S(C(C(N1)=O)=CN=C1O)(=O)=O

InChI

InChI=1S/C12H13N3O4S/c1-15(8-9-5-3-2-4-6-9)20(18,19)10-7-13-12(17)14-11(10)16/h2-7H,8H2,1H3,(H2,13,14,16,17)

InChI Key

IIANXRDIGJJDOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.166

Distribution Coefficient, logD

-7.026

Water Solubility, LogSw

-2.27

Polar Surface Area

84.920

Acid Dissociation Constant (pKa)

0.54

Base Dissociation Constant (pKb)

-6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D668-0105 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D668-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D668-0105?
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What is the minimum amount of D668-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D668-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D668-0105
  • 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 D668-0105 available by request