E727-0397 Screening compound: N-(3-chloro-2-methylphenyl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide

E727-0397 Screening compound: N-(3-chloro-2-methylphenyl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
E727-0397 Screening compound: N-(3-chloro-2-methylphenyl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E727-0397
N-(3-chloro-2-methylphenyl)-2-(methylsulfanyl)-4-phenylpyrimidine-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

E727-0397

Molecular Formula

C19H16ClN3OS (C19 H16 ClN3 OS)

Compound Name

N-(3-chloro-2-methylphenyl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide

IUPAC name

N-(3-chloro-2-methylphenyl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide

SMILES

Cc(c(NC(c(cn1)c(-c2ccccc2)nc1SC)=O)ccc1)c1Cl

InChI

InChI=1S/C19H16ClN3OS/c1-12-15(20)9-6-10-16(12)22-18(24)14-11-21-19(25-2)23-17(14)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,22,24)

InChI Key

XIKSLXIDVZQATE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.904

Distribution Coefficient, logD

4.901

Water Solubility, LogSw

-4.92

Polar Surface Area

40.946

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

E727-0397 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E727-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E727-0397?
Check Price and Availability of E727-0397, 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 E727-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E727-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E727-0397
  • 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 E727-0397 available by request