E727-0078 Screening compound: ethyl 4-[4-methyl-2-(methylsulfanyl)pyrimidine-5-amido]benzoate

E727-0078 Screening compound: ethyl 4-[4-methyl-2-(methylsulfanyl)pyrimidine-5-amido]benzoate
E727-0078 Screening compound: ethyl 4-[4-methyl-2-(methylsulfanyl)pyrimidine-5-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E727-0078
ethyl 4-[4-methyl-2-(methylsulfanyl)pyrimidine-5-amido]benzoate

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

E727-0078

Molecular Formula

C16H17N3O3S (C16 H17 N3 O3 S)

Compound Name

ethyl 4-[4-methyl-2-(methylsulfanyl)pyrimidine-5-amido]benzoate

IUPAC name

ethyl 4-[4-methyl-2-(methylsulfanyl)pyrimidine-5-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cn1)c(C)nc1SC)=O)=O

InChI

InChI=1S/C16H17N3O3S/c1-4-22-15(21)11-5-7-12(8-6-11)19-14(20)13-9-17-16(23-3)18-10(13)2/h5-9H,4H2,1-3H3,(H,19,20)

InChI Key

XLKCJLQEDKRDFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

3.187

Water Solubility, LogSw

-3.37

Polar Surface Area

62.475

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E727-0078 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Endocrine
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with E727-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E727-0078?
Check Price and Availability of E727-0078, 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 E727-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E727-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E727-0078
  • 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 E727-0078 available by request