E589-3105 Screening compound: N-cyclooctyl-4-[(1,3,3-trimethyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamido)methyl]benzamide

E589-3105 Screening compound: N-cyclooctyl-4-[(1,3,3-trimethyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamido)methyl]benzamide
E589-3105 Screening compound: N-cyclooctyl-4-[(1,3,3-trimethyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamido)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-3105
N-cyclooctyl-4-[(1,3,3-trimethyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamido)methyl]benzamide

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

E589-3105

Molecular Formula

C27H35N3O4S (C27 H35 N3 O4 S)

Compound Name

N-cyclooctyl-4-[(1,3,3-trimethyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamido)methyl]benzamide

IUPAC name

N-cyclooctyl-4-[(133-trimethyl-2-oxo-23-dihydro-1H-indole-5-sulfonamido)methyl]benzamide

SMILES

CC(C)(c(cc(cc1)S(NCc(cc2)ccc2C(NC2CCCCCCC2)=O)(=O)=O)c1N1C)C1=O

InChI

InChI=1S/C27H35N3O4S/c1-27(2)23-17-22(15-16-24(23)30(3)26(27)32)35(33,34)28-18-19-11-13-20(14-12-19)25(31)29-21-9-7-5-4-6-8-10-21/h11-17,21,28H,4-10,18H2,1-3H3,(H,29,31)

InChI Key

RDICFNSIHMFUDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.647

Distribution Coefficient, logD

4.646

Water Solubility, LogSw

-4.39

Polar Surface Area

81.972

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

E589-3105 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E589-3105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-3105?
Check Price and Availability of E589-3105, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E589-3105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-3105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-3105
  • 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 E589-3105 available by request