E727-0069 Screening compound: 4-methyl-N-(2-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carboxamide

E727-0069 Screening compound: 4-methyl-N-(2-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carboxamide
E727-0069 Screening compound: 4-methyl-N-(2-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E727-0069
4-methyl-N-(2-methylphenyl)-2-(methylsulfanyl)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

E727-0069

Molecular Formula

C14H15N3OS (C14 H15 N3 OS)

Compound Name

4-methyl-N-(2-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carboxamide

IUPAC name

4-methyl-N-(2-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carboxamide

SMILES

Cc(cccc1)c1NC(c(cn1)c(C)nc1SC)=O

InChI

InChI=1S/C14H15N3OS/c1-9-6-4-5-7-12(9)17-13(18)11-8-15-14(19-3)16-10(11)2/h4-8H,1-3H3,(H,17,18)

InChI Key

RLUHDIDOVJUVED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.618

Distribution Coefficient, logD

2.617

Water Solubility, LogSw

-3.19

Polar Surface Area

41.024

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

E727-0069 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E727-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E727-0069?
Check Price and Availability of E727-0069, 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 E727-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E727-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E727-0069
  • 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 E727-0069 available by request