E727-0690 Screening compound: N-(4-chlorophenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

E727-0690 Screening compound: N-(4-chlorophenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
E727-0690 Screening compound: N-(4-chlorophenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E727-0690
N-(4-chlorophenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)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

E727-0690

Molecular Formula

C13H9ClF3N3OS (C13 H9 ClF3 N3 OS)

Compound Name

N-(4-chlorophenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

IUPAC name

N-(4-chlorophenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

SMILES

CSc(nc1)nc(C(F)(F)F)c1C(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C13H9ClF3N3OS/c1-22-12-18-6-9(10(20-12)13(15,16)17)11(21)19-8-4-2-7(14)3-5-8/h2-6H,1H3,(H,19,21)

InChI Key

WIJDXKLSJGKAPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.75

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

3.769

Distribution Coefficient, logD

2.084

Water Solubility, LogSw

-4.34

Polar Surface Area

41.915

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

E727-0690 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E727-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E727-0690?
Check Price and Availability of E727-0690, 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 E727-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E727-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E727-0690
  • 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 E727-0690 available by request