K291-0156 Screening compound: 3,3-bis({[(2-chloro-6-fluorophenyl)methyl]sulfanyl})-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide

K291-0156 Screening compound: 3,3-bis({[(2-chloro-6-fluorophenyl)methyl]sulfanyl})-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide
K291-0156 Screening compound: 3,3-bis({[(2-chloro-6-fluorophenyl)methyl]sulfanyl})-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K291-0156
3,3-bis({[(2-chloro-6-fluorophenyl)methyl]sulfanyl})-2-cyano-N-(2,5-dimethylphenyl)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

K291-0156

Molecular Formula

C26H20Cl2F2N2OS2 (C26 H20 Cl2 F2 N2 OS2)

Compound Name

3,3-bis({[(2-chloro-6-fluorophenyl)methyl]sulfanyl})-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide

IUPAC name

33-bis({[(2-chloro-6-fluorophenyl)methyl]sulfanyl})-2-cyano-N-(25-dimethylphenyl)prop-2-enamide

SMILES

Cc1cc(NC(C(C#N)=C(SCc(c(F)ccc2)c2Cl)SCc(c(F)ccc2)c2Cl)=O)c(C)cc1

InChI

InChI=1S/C26H20Cl2F2N2OS2/c1-15-9-10-16(2)24(11-15)32-25(33)17(12-31)26(34-13-18-20(27)5-3-7-22(18)29)35-14-19-21(28)6-4-8-23(19)30/h3-11H,13-14H2,1-2H3,(H,32,33)

InChI Key

AFTLHMDYLXBAHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15091370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.763

Distribution Coefficient, logD

7.745

Water Solubility, LogSw

-6.41

Polar Surface Area

39.416

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with K291-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K291-0156?
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What is the minimum amount of K291-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K291-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K291-0156
  • 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 K291-0156 available by request