C156-0059 Screening compound: (2E)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C156-0059 Screening compound: (2E)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
C156-0059 Screening compound: (2E)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C156-0059
(2E)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-(3,4,5-trimethoxyphenyl)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

C156-0059

Molecular Formula

C22H24N2O4S (C22 H24 N2 O4 S)

Compound Name

(2E)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

IUPAC name

(2E)-N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-(345-trimethoxyphenyl)prop-2-enamide

SMILES

COc1cc(/C=C/C(NCCSc2c[nH]c3c2cccc3)=O)cc(OC)c1OC

InChI

InChI=1S/C22H24N2O4S/c1-26-18-12-15(13-19(27-2)22(18)28-3)8-9-21(25)23-10-11-29-20-14-24-17-7-5-4-6-16(17)20/h4-9,12-14,24H,10-11H2,1-3H3,(H,23,25)

InChI Key

VJKMZQNQZBDYSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.824

Distribution Coefficient, logD

3.824

Water Solubility, LogSw

-4.16

Polar Surface Area

57.129

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C156-0059 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C156-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C156-0059?
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What is the minimum amount of C156-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C156-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C156-0059
  • 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 C156-0059 available by request