G366-0588 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-propanoyl-2,3-dihydro-1H-indole-2-carboxamide

G366-0588 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-propanoyl-2,3-dihydro-1H-indole-2-carboxamide
G366-0588 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-propanoyl-2,3-dihydro-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G366-0588
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-propanoyl-2,3-dihydro-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

G366-0588

Molecular Formula

C21H24N2O2S (C21 H24 N2 O2 S)

Compound Name

N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-propanoyl-2,3-dihydro-1H-indole-2-carboxamide

IUPAC name

N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-propanoyl-23-dihydro-1H-indole-2-carboxamide

SMILES

CCC(N(C(C1)C(NCCc(cc2)ccc2SC)=O)c2c1cccc2)=O

InChI

InChI=1S/C21H24N2O2S/c1-3-20(24)23-18-7-5-4-6-16(18)14-19(23)21(25)22-13-12-15-8-10-17(26-2)11-9-15/h4-11,19H,3,12-14H2,1-2H3,(H,22,25)/t19-/m0/s1

InChI Key

LEBKSQOUXHLWLO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15004348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.497

Distribution Coefficient, logD

3.497

Water Solubility, LogSw

-3.69

Polar Surface Area

39.264

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

G366-0588 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with G366-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G366-0588?
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What is the minimum amount of G366-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G366-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G366-0588
  • 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 G366-0588 available by request