5218-3347 Screening compound: 2-{[4-methyl-6-oxo-5-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

5218-3347 Screening compound: 2-{[4-methyl-6-oxo-5-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
5218-3347 Screening compound: 2-{[4-methyl-6-oxo-5-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5218-3347
2-{[4-methyl-6-oxo-5-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

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

5218-3347

Molecular Formula

C10H13N3O2S (C10 H13 N3 O2 S)

Compound Name

2-{[4-methyl-6-oxo-5-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

n/a

SMILES

CC(N=C(N1)SCC(N)=O)=C(CC=C)C1=O

InChI

InChI=1S/C10H13N3O2S/c1-3-4-7-6(2)12-10(13-9(7)15)16-5-8(11)14/h3H,1,4-5H2,2H3,(H2,11,14)(H,12,13,15)

InChI Key

SKABYHLJVHCVJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03305171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.068

Distribution Coefficient, logD

-0.093

Water Solubility, LogSw

-1.94

Polar Surface Area

67.812

Acid Dissociation Constant (pKa)

7.75

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

5218-3347 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5218-3347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5218-3347?
Check Price and Availability of 5218-3347, 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 5218-3347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5218-3347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5218-3347
  • 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 5218-3347 available by request