E589-3001 Screening compound: 4-[(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)methyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide

E589-3001 Screening compound: 4-[(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)methyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide
E589-3001 Screening compound: 4-[(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)methyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-3001
4-[(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)methyl]-N-(2-methylcyclohexyl)cyclohexane-1-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

E589-3001

Molecular Formula

C26H39N3O4S (C26 H39 N3 O4 S)

Compound Name

4-[(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)methyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide

IUPAC name

4-[(1-acetyl-2-methyl-23-dihydro-1H-indole-5-sulfonamido)methyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide

SMILES

CC(C1)N(C(C)=O)c(cc2)c1cc2S(NCC(CC1)CCC1C(NC1C(C)CCCC1)=O)(=O)=O

InChI

InChI=1S/C26H39N3O4S/c1-17-6-4-5-7-24(17)28-26(31)21-10-8-20(9-11-21)16-27-34(32,33)23-12-13-25-22(15-23)14-18(2)29(25)19(3)30/h12-13,15,17-18,20-21,24,27H,4-11,14,16H2,1-3H3,(H,28,31)

InChI Key

BMNJIQXASJVPIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.135

Distribution Coefficient, logD

4.135

Water Solubility, LogSw

-4.28

Polar Surface Area

82.075

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

69.20

E589-3001 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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

References: we are preparing a list of scientific research reports with E589-3001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-3001?
Check Price and Availability of E589-3001, 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 E589-3001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-3001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-3001
  • 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 E589-3001 available by request