E213-1226 Screening compound: 4-OXO-N-[3-(TRIFLUOROMETHYL)PHENYL]-8-THIOCHROMANECARBOXAMIDE

E213-1226 Screening compound: 4-OXO-N-[3-(TRIFLUOROMETHYL)PHENYL]-8-THIOCHROMANECARBOXAMIDE
E213-1226 Screening compound: 4-OXO-N-[3-(TRIFLUOROMETHYL)PHENYL]-8-THIOCHROMANECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E213-1226
4-OXO-N-[3-(TRIFLUOROMETHYL)PHENYL]-8-THIOCHROMANECARBOXAMIDE

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

E213-1226

Molecular Formula

C17H12F3NO2S (C17 H12 F3 NO2 S)

Compound Name

4-OXO-N-[3-(TRIFLUOROMETHYL)PHENYL]-8-THIOCHROMANECARBOXAMIDE

IUPAC name

4-oxo-N-[3-(trifluoromethyl)phenyl]-34-dihydro-2H-1-benzothiopyran-8-carboxamide

SMILES

O=C(c1cccc2c1SCCC2=O)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C17H12F3NO2S/c18-17(19,20)10-3-1-4-11(9-10)21-16(23)13-6-2-5-12-14(22)7-8-24-15(12)13/h1-6,9H,7-8H2,(H,21,23)

InChI Key

ZSRGCICTZXUNBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.074

Distribution Coefficient, logD

4.041

Water Solubility, LogSw

-4.32

Polar Surface Area

36.498

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

E213-1226 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E213-1226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-1226?
Check Price and Availability of E213-1226, 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 E213-1226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-1226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-1226
  • 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 E213-1226 available by request