E699-1661 Screening compound: 1-[(1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

E699-1661 Screening compound: 1-[(1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
E699-1661 Screening compound: 1-[(1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E699-1661
1-[(1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-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

E699-1661

Molecular Formula

C26H33N3O5S (C26 H33 N3 O5 S)

Compound Name

1-[(1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

IUPAC name

1-[(1-cyclobutanecarbonyl-2-methyl-23-dihydro-1H-indol-5-yl)sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

SMILES

CC(C1)N(C(C2CCC2)=O)c(cc2)c1cc2S(N(CC1)CCC1C(NCc1ccc(C)o1)=O)(=O)=O

InChI

InChI=1S/C26H33N3O5S/c1-17-14-21-15-23(8-9-24(21)29(17)26(31)20-4-3-5-20)35(32,33)28-12-10-19(11-13-28)25(30)27-16-22-7-6-18(2)34-22/h6-9,15,17,19-20H,3-5,10-14,16H2,1-2H3,(H,27,30)/t17-/m1/s1

InChI Key

AUIFSKCYDAJZID-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14910856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.888

Distribution Coefficient, logD

2.888

Water Solubility, LogSw

-3.48

Polar Surface Area

78.766

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

E699-1661 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

MCL1 Targeted Library (12200 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 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:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E699-1661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E699-1661?
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What is the minimum amount of E699-1661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E699-1661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E699-1661
  • 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 E699-1661 available by request