E699-1432 Screening compound: 1-cyclobutanecarbonyl-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-methyl-2,3-dihydro-1H-indole

E699-1432 Screening compound: 1-cyclobutanecarbonyl-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-methyl-2,3-dihydro-1H-indole
E699-1432 Screening compound: 1-cyclobutanecarbonyl-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-methyl-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E699-1432
1-cyclobutanecarbonyl-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-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

E699-1432

Molecular Formula

C21H30N2O3S (C21 H30 N2 O3 S)

Compound Name

1-cyclobutanecarbonyl-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-methyl-2,3-dihydro-1H-indole

IUPAC name

1-cyclobutanecarbonyl-5-[(35-dimethylpiperidin-1-yl)sulfonyl]-2-methyl-23-dihydro-1H-indole

SMILES

CC(C1)N(C(C2CCC2)=O)c(cc2)c1cc2S(N1CC(C)CC(C)C1)(=O)=O

InChI

InChI=1S/C21H30N2O3S/c1-14-9-15(2)13-22(12-14)27(25,26)19-7-8-20-18(11-19)10-16(3)23(20)21(24)17-5-4-6-17/h7-8,11,14-17H,4-6,9-10,12-13H2,1-3H3

InChI Key

VIHPXVXIHXRETO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.642

Distribution Coefficient, logD

3.642

Water Solubility, LogSw

-3.97

Polar Surface Area

46.957

Acid Dissociation Constant (pKa)

22.36

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

66.70

E699-1432 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with E699-1432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E699-1432?
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What is the minimum amount of E699-1432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E699-1432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E699-1432
  • 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 E699-1432 available by request