C156-0094 Screening compound: N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide

C156-0094 Screening compound: N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide
C156-0094 Screening compound: N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C156-0094
N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide

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

C156-0094

Molecular Formula

C20H22N2O4S (C20 H22 N2 O4 S)

Compound Name

N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[2-(1H-indol-3-ylsulfanyl)ethyl]-345-trimethoxybenzamide

SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-24-16-10-13(11-17(25-2)19(16)26-3)20(23)21-8-9-27-18-12-22-15-7-5-4-6-14(15)18/h4-7,10-12,22H,8-9H2,1-3H3,(H,21,23)

InChI Key

VEXXMEHYBQJVTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.112

Distribution Coefficient, logD

3.112

Water Solubility, LogSw

-3.39

Polar Surface Area

57.342

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C156-0094 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C156-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C156-0094?
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What is the minimum amount of C156-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C156-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C156-0094
  • 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 C156-0094 available by request