E540-1056 Screening compound: ethyl 6-oxo-2-sulfanyl-1,6-dihydro-5-pyrimidinecarboxylate

E540-1056 Screening compound: ethyl 6-oxo-2-sulfanyl-1,6-dihydro-5-pyrimidinecarboxylate
E540-1056 Screening compound: ethyl 6-oxo-2-sulfanyl-1,6-dihydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E540-1056
ethyl 6-oxo-2-sulfanyl-1,6-dihydro-5-pyrimidinecarboxylate

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

E540-1056

Molecular Formula

C7H8N2O3S (C7 H8 N2 O3 S)

Compound Name

ethyl 6-oxo-2-sulfanyl-1,6-dihydro-5-pyrimidinecarboxylate

IUPAC name

ethyl 6-oxo-2-sulfanyl-16-dihydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(N1)=O)=CN=C1S)=O

InChI

InChI=1S/C7H8N2O3S/c1-2-12-6(11)4-3-8-7(13)9-5(4)10/h3H,2H2,1H3,(H2,8,9,10,13)

InChI Key

FQFSHLBWRUOCPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09743156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

200.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.002

Distribution Coefficient, logD

-3.039

Water Solubility, LogSw

-1.46

Polar Surface Area

55.476

Acid Dissociation Constant (pKa)

4.36

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

E540-1056 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E540-1056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E540-1056?
Check Price and Availability of E540-1056, 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 E540-1056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E540-1056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E540-1056
  • 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 E540-1056 available by request