K291-0047 Screening compound: (2E)-3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)amino]prop-2-enamide

K291-0047 Screening compound: (2E)-3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)amino]prop-2-enamide
K291-0047 Screening compound: (2E)-3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)amino]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K291-0047
(2E)-3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)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

K291-0047

Molecular Formula

C28H28ClN3O4S (C28 H28 ClN3 O4 S)

Compound Name

(2E)-3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)amino]prop-2-enamide

IUPAC name

(2E)-3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-[2-(34-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)amino]prop-2-enamide

SMILES

COc1cccc(N/C(/SCc(cccc2)c2Cl)=C(\C(NCCc(cc2)cc(OC)c2OC)=O)/C#N)c1

InChI

InChI=1S/C28H28ClN3O4S/c1-34-22-9-6-8-21(16-22)32-28(37-18-20-7-4-5-10-24(20)29)23(17-30)27(33)31-14-13-19-11-12-25(35-2)26(15-19)36-3/h4-12,15-16,32H,13-14,18H2,1-3H3,(H,31,33)

InChI Key

NRJDFIBAFLEIAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02935362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.07

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.225

Distribution Coefficient, logD

5.181

Water Solubility, LogSw

-5.72

Polar Surface Area

74.046

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with K291-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K291-0047?
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What is the minimum amount of K291-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K291-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K291-0047
  • 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 K291-0047 available by request