E018-0946 Screening compound: N-(butan-2-yl)-3-[(4-chlorophenyl)sulfanyl]-6-methyl-1H-indole-2-carboxamide

E018-0946 Screening compound: N-(butan-2-yl)-3-[(4-chlorophenyl)sulfanyl]-6-methyl-1H-indole-2-carboxamide
E018-0946 Screening compound: N-(butan-2-yl)-3-[(4-chlorophenyl)sulfanyl]-6-methyl-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E018-0946
N-(butan-2-yl)-3-[(4-chlorophenyl)sulfanyl]-6-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

E018-0946

Molecular Formula

C20H21ClN2OS (C20 H21 ClN2 OS)

Compound Name

N-(butan-2-yl)-3-[(4-chlorophenyl)sulfanyl]-6-methyl-1H-indole-2-carboxamide

IUPAC name

N-(butan-2-yl)-3-[(4-chlorophenyl)sulfanyl]-6-methyl-1H-indole-2-carboxamide

SMILES

CCC(C)NC(c([nH]c1c2ccc(C)c1)c2Sc(cc1)ccc1Cl)=O

InChI

InChI=1S/C20H21ClN2OS/c1-4-13(3)22-20(24)18-19(25-15-8-6-14(21)7-9-15)16-10-5-12(2)11-17(16)23-18/h5-11,13,23H,4H2,1-3H3,(H,22,24)/t13-/m0/s1

InChI Key

LXKAIZBAMAAPHO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14839255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.92

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

5.200

Distribution Coefficient, logD

5.200

Water Solubility, LogSw

-5.59

Polar Surface Area

34.213

Acid Dissociation Constant (pKa)

15.11

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

E018-0946 in Drug Discovery

Included in Screening Libraries

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:
  • 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 E018-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E018-0946?
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What is the minimum amount of E018-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E018-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E018-0946
  • 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 E018-0946 available by request