K291-0200 Screening compound: 2-cyano-N-phenyl-3,3-bis({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide

K291-0200 Screening compound: 2-cyano-N-phenyl-3,3-bis({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide
K291-0200 Screening compound: 2-cyano-N-phenyl-3,3-bis({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K291-0200
2-cyano-N-phenyl-3,3-bis({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide

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

K291-0200

Molecular Formula

C26H18F6N2O3S2 (C26 H18 F6 N2 O3 S2)

Compound Name

2-cyano-N-phenyl-3,3-bis({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide

IUPAC name

2-cyano-N-phenyl-33-bis({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide

SMILES

N#CC(C(Nc1ccccc1)=O)=C(SCc(cc1)ccc1OC(F)(F)F)SCc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C26H18F6N2O3S2/c27-25(28,29)36-20-10-6-17(7-11-20)15-38-24(22(14-33)23(35)34-19-4-2-1-3-5-19)39-16-18-8-12-21(13-9-18)37-26(30,31)32/h1-13H,15-16H2,(H,34,35)

InChI Key

JCBAUSIXTPBQCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15091387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.661

Distribution Coefficient, logD

7.645

Water Solubility, LogSw

-6.08

Polar Surface Area

51.988

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

K291-0200 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K291-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K291-0200?
Check Price and Availability of K291-0200, 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 K291-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K291-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K291-0200
  • 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 K291-0200 available by request