E018-1991 Screening compound: 6-methoxy-3-(phenylsulfanyl)-N-[(4-propoxyphenyl)methyl]-1H-indole-2-carboxamide

E018-1991 Screening compound: 6-methoxy-3-(phenylsulfanyl)-N-[(4-propoxyphenyl)methyl]-1H-indole-2-carboxamide
E018-1991 Screening compound: 6-methoxy-3-(phenylsulfanyl)-N-[(4-propoxyphenyl)methyl]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E018-1991
6-methoxy-3-(phenylsulfanyl)-N-[(4-propoxyphenyl)methyl]-1H-indole-2-carboxamide

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

E018-1991

Molecular Formula

C26H26N2O3S (C26 H26 N2 O3 S)

Compound Name

6-methoxy-3-(phenylsulfanyl)-N-[(4-propoxyphenyl)methyl]-1H-indole-2-carboxamide

IUPAC name

6-methoxy-3-(phenylsulfanyl)-N-[(4-propoxyphenyl)methyl]-1H-indole-2-carboxamide

SMILES

CCCOc1ccc(CNC(c([nH]c2c3ccc(OC)c2)c3Sc2ccccc2)=O)cc1

InChI

InChI=1S/C26H26N2O3S/c1-3-15-31-19-11-9-18(10-12-19)17-27-26(29)24-25(32-21-7-5-4-6-8-21)22-14-13-20(30-2)16-23(22)28-24/h4-14,16,28H,3,15,17H2,1-2H3,(H,27,29)

InChI Key

MCDGQXFJXORWSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.884

Distribution Coefficient, logD

5.884

Water Solubility, LogSw

-5.67

Polar Surface Area

49.461

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

E018-1991 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with E018-1991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E018-1991?
Check Price and Availability of E018-1991, 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 E018-1991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E018-1991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E018-1991
  • 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 E018-1991 available by request