E196-0409 Screening compound: 2-({4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydropteridin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

E196-0409 Screening compound: 2-({4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydropteridin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
E196-0409 Screening compound: 2-({4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydropteridin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0409
2-({4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydropteridin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

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

E196-0409

Molecular Formula

C20H14F3N5O2S2 (C20 H14 F3 N5 O2 S2)

Compound Name

2-({4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydropteridin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-({4-oxo-3-[(thiophen-2-yl)methyl]-34-dihydropteridin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CSC(N(Cc1cccs1)C1=O)=Nc2c1nccn2)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C20H14F3N5O2S2/c21-20(22,23)13-5-1-2-6-14(13)26-15(29)11-32-19-27-17-16(24-7-8-25-17)18(30)28(19)10-12-4-3-9-31-12/h1-9H,10-11H2,(H,26,29)

InChI Key

GWJUWGPKMSBMFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.239

Distribution Coefficient, logD

3.239

Water Solubility, LogSw

-3.63

Polar Surface Area

68.774

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E196-0409 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E196-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0409?
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What is the minimum amount of E196-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0409
  • 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 E196-0409 available by request