D518-0204 Screening compound: methyl 2-{[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate

D518-0204 Screening compound: methyl 2-{[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate
D518-0204 Screening compound: methyl 2-{[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D518-0204
methyl 2-{[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate

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

D518-0204

Molecular Formula

C12H9N3O4S (C12 H9 N3 O4 S)

Compound Name

methyl 2-{[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate

IUPAC name

methyl 2-{[5-cyano-4-(furan-2-yl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}acetate

SMILES

COC(CSC(NC1=O)=NC(c2ccco2)=C1C#N)=O

InChI

InChI=1S/C12H9N3O4S/c1-18-9(16)6-20-12-14-10(8-3-2-4-19-8)7(5-13)11(17)15-12/h2-4H,6H2,1H3,(H,14,15,17)

InChI Key

VCUWLIIZFDHSFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12922462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.544

Distribution Coefficient, logD

-2.613

Water Solubility, LogSw

-2.09

Polar Surface Area

80.867

Acid Dissociation Constant (pKa)

4.24

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D518-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D518-0204?
Check Price and Availability of D518-0204, 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 D518-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D518-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D518-0204
  • 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 D518-0204 available by request