E540-1030 Screening compound: ethyl 4-amino-2-(benzylsulfanyl)pyrimidine-5-carboxylate

E540-1030 Screening compound: ethyl 4-amino-2-(benzylsulfanyl)pyrimidine-5-carboxylate
E540-1030 Screening compound: ethyl 4-amino-2-(benzylsulfanyl)pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E540-1030
ethyl 4-amino-2-(benzylsulfanyl)pyrimidine-5-carboxylate

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

E540-1030

Molecular Formula

C14H15N3O2S (C14 H15 N3 O2 S)

Compound Name

ethyl 4-amino-2-(benzylsulfanyl)pyrimidine-5-carboxylate

IUPAC name

ethyl 4-amino-2-(benzylsulfanyl)pyrimidine-5-carboxylate

SMILES

CCOC(c(cn1)c(N)nc1SCc1ccccc1)=O

InChI

InChI=1S/C14H15N3O2S/c1-2-19-13(18)11-8-16-14(17-12(11)15)20-9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H2,15,16,17)

InChI Key

PMPWPSTVTPCAGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02230574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.594

Distribution Coefficient, logD

2.594

Water Solubility, LogSw

-2.90

Polar Surface Area

59.232

Acid Dissociation Constant (pKa)

15.13

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

E540-1030 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E540-1030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E540-1030?
Check Price and Availability of E540-1030, 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 E540-1030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E540-1030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E540-1030
  • 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 E540-1030 available by request