E018-1028 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-(2,3-dimethylcyclohexyl)-6-methyl-1H-indole-2-carboxamide

E018-1028 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-(2,3-dimethylcyclohexyl)-6-methyl-1H-indole-2-carboxamide
E018-1028 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-(2,3-dimethylcyclohexyl)-6-methyl-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E018-1028
3-[(4-chlorophenyl)sulfanyl]-N-(2,3-dimethylcyclohexyl)-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

E018-1028

Molecular Formula

C24H27ClN2OS (C24 H27 ClN2 OS)

Compound Name

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

IUPAC name

3-[(4-chlorophenyl)sulfanyl]-N-(23-dimethylcyclohexyl)-6-methyl-1H-indole-2-carboxamide

SMILES

CC(CCC1)C(C)C1NC(c([nH]c1c2ccc(C)c1)c2Sc(cc1)ccc1Cl)=O

InChI

InChI=1S/C24H27ClN2OS/c1-14-7-12-19-21(13-14)26-22(23(19)29-18-10-8-17(25)9-11-18)24(28)27-20-6-4-5-15(2)16(20)3/h7-13,15-16,20,26H,4-6H2,1-3H3,(H,27,28)

InChI Key

KHNJWDDPDAAQHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.01

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.345

Distribution Coefficient, logD

6.345

Water Solubility, LogSw

-6.23

Polar Surface Area

34.615

Acid Dissociation Constant (pKa)

15.11

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

37.50

E018-1028 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E018-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E018-1028?
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What is the minimum amount of E018-1028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E018-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E018-1028
  • 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 E018-1028 available by request