E699-1383 Screening compound: 5-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indole

E699-1383 Screening compound: 5-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indole
E699-1383 Screening compound: 5-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E699-1383
5-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indole

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

E699-1383

Molecular Formula

C25H30ClN3O3S (C25 H30 ClN3 O3 S)

Compound Name

5-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indole

IUPAC name

5-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-cyclobutanecarbonyl-2-methyl-23-dihydro-1H-indole

SMILES

CC(C1)N(C(C2CCC2)=O)c(cc2)c1cc2S(N(CC1)CCN1c1c(C)ccc(Cl)c1)(=O)=O

InChI

InChI=1S/C25H30ClN3O3S/c1-17-6-7-21(26)16-24(17)27-10-12-28(13-11-27)33(31,32)22-8-9-23-20(15-22)14-18(2)29(23)25(30)19-4-3-5-19/h6-9,15-16,18-19H,3-5,10-14H2,1-2H3/t18-/m1/s1

InChI Key

LIGXTZMZRBBPOP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14910754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.687

Distribution Coefficient, logD

4.687

Water Solubility, LogSw

-4.83

Polar Surface Area

50.050

Acid Dissociation Constant (pKa)

22.36

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

E699-1383 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Purinergic Library (3321 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E699-1383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E699-1383?
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What is the minimum amount of E699-1383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E699-1383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E699-1383
  • 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 E699-1383 available by request