K291-0080 Screening compound: (2E)-2-cyano-3-[(4-ethoxyphenyl)amino]-N-[(furan-2-yl)methyl]-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide

K291-0080 Screening compound: (2E)-2-cyano-3-[(4-ethoxyphenyl)amino]-N-[(furan-2-yl)methyl]-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
K291-0080 Screening compound: (2E)-2-cyano-3-[(4-ethoxyphenyl)amino]-N-[(furan-2-yl)methyl]-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K291-0080
(2E)-2-cyano-3-[(4-ethoxyphenyl)amino]-N-[(furan-2-yl)methyl]-3-{[(3-nitrophenyl)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

K291-0080

Molecular Formula

C24H22N4O5S (C24 H22 N4 O5 S)

Compound Name

(2E)-2-cyano-3-[(4-ethoxyphenyl)amino]-N-[(furan-2-yl)methyl]-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide

IUPAC name

(2E)-2-cyano-3-[(4-ethoxyphenyl)amino]-N-[(furan-2-yl)methyl]-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide

SMILES

CCOc(cc1)ccc1N/C(/SCc1cc([N+]([O-])=O)ccc1)=C(\C(NCc1ccco1)=O)/C#N

InChI

InChI=1S/C24H22N4O5S/c1-2-32-20-10-8-18(9-11-20)27-24(34-16-17-5-3-6-19(13-17)28(30)31)22(14-25)23(29)26-15-21-7-4-12-33-21/h3-13,27H,2,15-16H2,1H3,(H,26,29)

InChI Key

NUKBQDZPFQOTFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02935388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.031

Distribution Coefficient, logD

5.023

Water Solubility, LogSw

-4.65

Polar Surface Area

99.653

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K291-0080 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 K291-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K291-0080?
Check Price and Availability of K291-0080, 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 K291-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K291-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K291-0080
  • 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 K291-0080 available by request