K291-0009 Screening compound: 2-cyano-N-(4-phenoxyphenyl)-3,3-bis({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide

K291-0009 Screening compound: 2-cyano-N-(4-phenoxyphenyl)-3,3-bis({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide
K291-0009 Screening compound: 2-cyano-N-(4-phenoxyphenyl)-3,3-bis({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K291-0009
2-cyano-N-(4-phenoxyphenyl)-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

K291-0009

Molecular Formula

C32H22F6N2O4S2 (C32 H22 F6 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

N#CC(C(Nc(cc1)ccc1Oc1ccccc1)=O)=C(SCc(cc1)ccc1OC(F)(F)F)SCc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C32H22F6N2O4S2/c33-31(34,35)43-26-12-6-21(7-13-26)19-45-30(46-20-22-8-14-27(15-9-22)44-32(36,37)38)28(18-39)29(41)40-23-10-16-25(17-11-23)42-24-4-2-1-3-5-24/h1-17H,19-20H2,(H,40,41)

InChI Key

ALFANJNZMPOTST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02935335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

676.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

9.543

Distribution Coefficient, logD

9.521

Water Solubility, LogSw

-6.18

Polar Surface Area

58.736

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K291-0009 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K291-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K291-0009?
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What is the minimum amount of K291-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K291-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K291-0009
  • 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 K291-0009 available by request