E699-1681 Screening compound: 1-[(1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(pyridin-2-yl)piperidine-4-carboxamide

E699-1681 Screening compound: 1-[(1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(pyridin-2-yl)piperidine-4-carboxamide
E699-1681 Screening compound: 1-[(1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(pyridin-2-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E699-1681
1-[(1-cyclobutanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(pyridin-2-yl)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

E699-1681

Molecular Formula

C25H30N4O4S (C25 H30 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C1)N(C(C2CCC2)=O)c(cc2)c1cc2S(N(CC1)CCC1C(Nc1ncccc1)=O)(=O)=O

InChI

InChI=1S/C25H30N4O4S/c1-17-15-20-16-21(8-9-22(20)29(17)25(31)19-5-4-6-19)34(32,33)28-13-10-18(11-14-28)24(30)27-23-7-2-3-12-26-23/h2-3,7-9,12,16-19H,4-6,10-11,13-15H2,1H3,(H,26,27,30)/t17-/m1/s1

InChI Key

VCSYACBUOHQOQP-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14910861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.607

Distribution Coefficient, logD

2.606

Water Solubility, LogSw

-3.25

Polar Surface Area

79.796

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

E699-1681 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Anti-HIV1 Library (19540 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
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E699-1681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E699-1681?
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What is the minimum amount of E699-1681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E699-1681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E699-1681
  • 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 E699-1681 available by request