C156-0074 Screening compound: 3,4,5-trimethoxy-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}benzamide

C156-0074 Screening compound: 3,4,5-trimethoxy-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}benzamide
C156-0074 Screening compound: 3,4,5-trimethoxy-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C156-0074
3,4,5-trimethoxy-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}benzamide

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

C156-0074

Molecular Formula

C21H24N2O4S (C21 H24 N2 O4 S)

Compound Name

3,4,5-trimethoxy-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}benzamide

IUPAC name

345-trimethoxy-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}benzamide

SMILES

Cc([nH]c1c2cccc1)c2SCCNC(c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C21H24N2O4S/c1-13-20(15-7-5-6-8-16(15)23-13)28-10-9-22-21(24)14-11-17(25-2)19(27-4)18(12-14)26-3/h5-8,11-12,23H,9-10H2,1-4H3,(H,22,24)

InChI Key

CDQKUAUBSCGIIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

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

3.019

Distribution Coefficient, logD

3.019

Water Solubility, LogSw

-3.46

Polar Surface Area

57.397

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C156-0074 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C156-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C156-0074?
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What is the minimum amount of C156-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C156-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C156-0074
  • 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 C156-0074 available by request