E018-2080 Screening compound: N-[2-(4-chlorophenyl)ethyl]-6-methoxy-3-[(4-methylphenyl)sulfanyl]-1H-indole-2-carboxamide

E018-2080 Screening compound: N-[2-(4-chlorophenyl)ethyl]-6-methoxy-3-[(4-methylphenyl)sulfanyl]-1H-indole-2-carboxamide
E018-2080 Screening compound: N-[2-(4-chlorophenyl)ethyl]-6-methoxy-3-[(4-methylphenyl)sulfanyl]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E018-2080
N-[2-(4-chlorophenyl)ethyl]-6-methoxy-3-[(4-methylphenyl)sulfanyl]-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

E018-2080

Molecular Formula

C25H23ClN2O2S (C25 H23 ClN2 O2 S)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-6-methoxy-3-[(4-methylphenyl)sulfanyl]-1H-indole-2-carboxamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-6-methoxy-3-[(4-methylphenyl)sulfanyl]-1H-indole-2-carboxamide

SMILES

Cc(cc1)ccc1Sc1c(C(NCCc(cc2)ccc2Cl)=O)[nH]c2c1ccc(OC)c2

InChI

InChI=1S/C25H23ClN2O2S/c1-16-3-10-20(11-4-16)31-24-21-12-9-19(30-2)15-22(21)28-23(24)25(29)27-14-13-17-5-7-18(26)8-6-17/h3-12,15,28H,13-14H2,1-2H3,(H,27,29)

InChI Key

AHASEZWSAFHBNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.99

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.062

Distribution Coefficient, logD

6.062

Water Solubility, LogSw

-6.19

Polar Surface Area

41.885

Acid Dissociation Constant (pKa)

14.74

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

E018-2080 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Cardiovascular Library (22201 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E018-2080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E018-2080?
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What is the minimum amount of E018-2080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E018-2080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E018-2080
  • 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 E018-2080 available by request