E018-0436 Screening compound: 3-[(4-methylphenyl)sulfanyl]-N-[(oxolan-2-yl)methyl]-1H-indole-2-carboxamide

E018-0436 Screening compound: 3-[(4-methylphenyl)sulfanyl]-N-[(oxolan-2-yl)methyl]-1H-indole-2-carboxamide
E018-0436 Screening compound: 3-[(4-methylphenyl)sulfanyl]-N-[(oxolan-2-yl)methyl]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E018-0436
3-[(4-methylphenyl)sulfanyl]-N-[(oxolan-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

E018-0436

Molecular Formula

C21H22N2O2S (C21 H22 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1Sc1c(C(NCC2OCCC2)=O)[nH]c2c1cccc2

InChI

InChI=1S/C21H22N2O2S/c1-14-8-10-16(11-9-14)26-20-17-6-2-3-7-18(17)23-19(20)21(24)22-13-15-5-4-12-25-15/h2-3,6-11,15,23H,4-5,12-13H2,1H3,(H,22,24)/t15-/m1/s1

InChI Key

PFRMEZBTXUEVON-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14839174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.817

Distribution Coefficient, logD

3.817

Water Solubility, LogSw

-4.05

Polar Surface Area

43.154

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

E018-0436 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E018-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E018-0436?
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What is the minimum amount of E018-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E018-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E018-0436
  • 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 E018-0436 available by request