E018-1002 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-6-methyl-N-[(oxolan-2-yl)methyl]-1H-indole-2-carboxamide

E018-1002 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-6-methyl-N-[(oxolan-2-yl)methyl]-1H-indole-2-carboxamide
E018-1002 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-6-methyl-N-[(oxolan-2-yl)methyl]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E018-1002
3-[(4-chlorophenyl)sulfanyl]-6-methyl-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

E018-1002

Molecular Formula

C21H21ClN2O2S (C21 H21 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1c(Sc(cc1)ccc1Cl)c(C(NCC1OCCC1)=O)[nH]2

InChI

InChI=1S/C21H21ClN2O2S/c1-13-4-9-17-18(11-13)24-19(21(25)23-12-15-3-2-10-26-15)20(17)27-16-7-5-14(22)6-8-16/h4-9,11,15,24H,2-3,10,12H2,1H3,(H,23,25)/t15-/m1/s1

InChI Key

TUGRFDBXHPCEIQ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14839270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.93

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

4.601

Distribution Coefficient, logD

4.601

Water Solubility, LogSw

-4.71

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

E018-1002 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 E018-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E018-1002?
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What is the minimum amount of E018-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E018-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E018-1002
  • 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 E018-1002 available by request