K291-0021 Screening compound: (2E)-N-benzyl-2-cyano-3-{[(2,5-difluorophenyl)methyl]sulfanyl}-3-[(2-ethoxyphenyl)amino]prop-2-enamide

K291-0021 Screening compound: (2E)-N-benzyl-2-cyano-3-{[(2,5-difluorophenyl)methyl]sulfanyl}-3-[(2-ethoxyphenyl)amino]prop-2-enamide
K291-0021 Screening compound: (2E)-N-benzyl-2-cyano-3-{[(2,5-difluorophenyl)methyl]sulfanyl}-3-[(2-ethoxyphenyl)amino]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K291-0021
(2E)-N-benzyl-2-cyano-3-{[(2,5-difluorophenyl)methyl]sulfanyl}-3-[(2-ethoxyphenyl)amino]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

K291-0021

Molecular Formula

C26H23F2N3O2S (C26 H23 F2 N3 O2 S)

Compound Name

(2E)-N-benzyl-2-cyano-3-{[(2,5-difluorophenyl)methyl]sulfanyl}-3-[(2-ethoxyphenyl)amino]prop-2-enamide

IUPAC name

(2E)-N-benzyl-2-cyano-3-{[(25-difluorophenyl)methyl]sulfanyl}-3-[(2-ethoxyphenyl)amino]prop-2-enamide

SMILES

CCOc(cccc1)c1N/C(/SCc(cc(cc1)F)c1F)=C(\C(NCc1ccccc1)=O)/C#N

InChI

InChI=1S/C26H23F2N3O2S/c1-2-33-24-11-7-6-10-23(24)31-26(34-17-19-14-20(27)12-13-22(19)28)21(15-29)25(32)30-16-18-8-4-3-5-9-18/h3-14,31H,2,16-17H2,1H3,(H,30,32)

InChI Key

MQUCEDCNVOMKAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02935345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.977

Distribution Coefficient, logD

5.911

Water Solubility, LogSw

-5.43

Polar Surface Area

57.912

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

K291-0021 in Drug Discovery

Included in Screening Libraries

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 K291-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K291-0021?
Check Price and Availability of K291-0021, 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 K291-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K291-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K291-0021
  • 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 K291-0021 available by request