E727-0353 Screening compound: 2-(METHYLSULFANYL)-4-PHENYL-N-(PYRIDIN-4-YL)PYRIMIDINE-5-CARBOXAMIDE

E727-0353 Screening compound: 2-(METHYLSULFANYL)-4-PHENYL-N-(PYRIDIN-4-YL)PYRIMIDINE-5-CARBOXAMIDE
E727-0353 Screening compound: 2-(METHYLSULFANYL)-4-PHENYL-N-(PYRIDIN-4-YL)PYRIMIDINE-5-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E727-0353
2-(METHYLSULFANYL)-4-PHENYL-N-(PYRIDIN-4-YL)PYRIMIDINE-5-CARBOXAMIDE

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

E727-0353

Molecular Formula

C17H14N4OS (C17 H14 N4 OS)

Compound Name

2-(METHYLSULFANYL)-4-PHENYL-N-(PYRIDIN-4-YL)PYRIMIDINE-5-CARBOXAMIDE

IUPAC name

n/a

SMILES

CSc(nc1)nc(-c2ccccc2)c1C(Nc1ccncc1)=O

InChI

InChI=1S/C17H14N4OS/c1-23-17-19-11-14(15(21-17)12-5-3-2-4-6-12)16(22)20-13-7-9-18-10-8-13/h2-11H,1H3,(H,18,20,22)

InChI Key

IFEGXEIDCKBQET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.719

Distribution Coefficient, logD

2.718

Water Solubility, LogSw

-3.36

Polar Surface Area

51.072

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

E727-0353 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antifungal Library (16415 compounds)

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

GPCR Targeted Library (31838 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Agro:
  • Agro
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with E727-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E727-0353?
Check Price and Availability of E727-0353, 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 E727-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E727-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E727-0353
  • 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 E727-0353 available by request