D668-0326 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide

D668-0326 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
D668-0326 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D668-0326
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-hydroxy-4-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

D668-0326

Molecular Formula

C13H13N3O6S (C13 H13 N3 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-hydroxy-4-methyl-6-oxo-16-dihydropyrimidine-5-sulfonamide

SMILES

CC(N=C(NC1=O)O)=C1S(NCc(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C13H13N3O6S/c1-7-11(12(17)16-13(18)15-7)23(19,20)14-5-8-2-3-9-10(4-8)22-6-21-9/h2-4,14H,5-6H2,1H3,(H2,15,16,17,18)

InChI Key

SUWHKKZDNRDBHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.33

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.342

Distribution Coefficient, logD

-6.979

Water Solubility, LogSw

-2.18

Polar Surface Area

110.892

Acid Dissociation Constant (pKa)

0.76

Base Dissociation Constant (pKb)

-5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D668-0326 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D668-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D668-0326?
Check Price and Availability of D668-0326, 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 D668-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D668-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D668-0326
  • 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 D668-0326 available by request