E699-1409 Screening compound: 1-(4-{4-[(1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperazin-1-yl}phenyl)ethan-1-one

E699-1409 Screening compound: 1-(4-{4-[(1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperazin-1-yl}phenyl)ethan-1-one
E699-1409 Screening compound: 1-(4-{4-[(1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperazin-1-yl}phenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E699-1409
1-(4-{4-[(1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperazin-1-yl}phenyl)ethan-1-one

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

E699-1409

Molecular Formula

C26H31N3O4S (C26 H31 N3 O4 S)

Compound Name

1-(4-{4-[(1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperazin-1-yl}phenyl)ethan-1-one

IUPAC name

1-(4-{4-[(1-cyclobutanecarbonyl-2-methyl-23-dihydro-1H-indol-5-yl)sulfonyl]piperazin-1-yl}phenyl)ethan-1-one

SMILES

CC(C1)N(C(C2CCC2)=O)c(cc2)c1cc2S(N(CC1)CCN1c(cc1)ccc1C(C)=O)(=O)=O

InChI

InChI=1S/C26H31N3O4S/c1-18-16-22-17-24(10-11-25(22)29(18)26(31)21-4-3-5-21)34(32,33)28-14-12-27(13-15-28)23-8-6-20(7-9-23)19(2)30/h6-11,17-18,21H,3-5,12-16H2,1-2H3/t18-/m1/s1

InChI Key

VFDRGZLSHBFWNJ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14910775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.068

Distribution Coefficient, logD

3.068

Water Solubility, LogSw

-3.44

Polar Surface Area

64.177

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

E699-1409 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 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:
  • Antiviral
  • Infections
  • Immune system
  • 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 E699-1409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E699-1409?
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What is the minimum amount of E699-1409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E699-1409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E699-1409
  • 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 E699-1409 available by request