K781-0091 Screening compound: (2E)-2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enethioamide

K781-0091 Screening compound: (2E)-2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enethioamide
K781-0091 Screening compound: (2E)-2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enethioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-0091
(2E)-2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enethioamide

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

K781-0091

Molecular Formula

C11H7F3N2S (C11 H7 F3 N2 S)

Compound Name

(2E)-2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enethioamide

IUPAC name

(2E)-2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enethioamide

SMILES

NC(/C(/C#N)=C/c1c(C(F)(F)F)cccc1)=S

InChI

InChI=1S/C11H7F3N2S/c12-11(13,14)9-4-2-1-3-7(9)5-8(6-15)10(16)17/h1-5H,(H2,16,17)

InChI Key

HMLCSAVQVIPJPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01605437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.738

Distribution Coefficient, logD

2.738

Water Solubility, LogSw

-3.41

Polar Surface Area

36.748

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

K781-0091 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K781-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0091?
Check Price and Availability of K781-0091, 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 K781-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0091
  • 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 K781-0091 available by request