E018-0464 Screening compound: 3-[(4-methylphenyl)sulfanyl]-N-[(thiophen-2-yl)methyl]-1H-indole-2-carboxamide

E018-0464 Screening compound: 3-[(4-methylphenyl)sulfanyl]-N-[(thiophen-2-yl)methyl]-1H-indole-2-carboxamide
E018-0464 Screening compound: 3-[(4-methylphenyl)sulfanyl]-N-[(thiophen-2-yl)methyl]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E018-0464
3-[(4-methylphenyl)sulfanyl]-N-[(thiophen-2-yl)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

E018-0464

Molecular Formula

C21H18N2OS2 (C21 H18 N2 OS2)

Compound Name

3-[(4-methylphenyl)sulfanyl]-N-[(thiophen-2-yl)methyl]-1H-indole-2-carboxamide

IUPAC name

3-[(4-methylphenyl)sulfanyl]-N-[(thiophen-2-yl)methyl]-1H-indole-2-carboxamide

SMILES

Cc(cc1)ccc1Sc1c(C(NCc2cccs2)=O)[nH]c2c1cccc2

InChI

InChI=1S/C21H18N2OS2/c1-14-8-10-15(11-9-14)26-20-17-6-2-3-7-18(17)23-19(20)21(24)22-13-16-5-4-12-25-16/h2-12,23H,13H2,1H3,(H,22,24)

InChI Key

XIXJRFGNJMSGPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.242

Distribution Coefficient, logD

5.242

Water Solubility, LogSw

-5.27

Polar Surface Area

35.518

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

E018-0464 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Others
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with E018-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E018-0464?
Check Price and Availability of E018-0464, 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 E018-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E018-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E018-0464
  • 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 E018-0464 available by request