E589-3049 Screening compound: 4-({[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]amino}methyl)-N-(2-methoxyphenyl)-1-cyclohexanecarboxamide

E589-3049 Screening compound: 4-({[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]amino}methyl)-N-(2-methoxyphenyl)-1-cyclohexanecarboxamide
E589-3049 Screening compound: 4-({[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]amino}methyl)-N-(2-methoxyphenyl)-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-3049
4-({[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]amino}methyl)-N-(2-methoxyphenyl)-1-cyclohexanecarboxamide

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

E589-3049

Molecular Formula

C26H33N3O5S (C26 H33 N3 O5 S)

Compound Name

4-({[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]amino}methyl)-N-(2-methoxyphenyl)-1-cyclohexanecarboxamide

IUPAC name

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

SMILES

CC(C1)N(C(C)=O)c(cc2)c1cc2S(NCC(CC1)CCC1C(Nc(cccc1)c1OC)=O)(=O)=O

InChI

InChI=1S/C26H33N3O5S/c1-17-14-21-15-22(12-13-24(21)29(17)18(2)30)35(32,33)27-16-19-8-10-20(11-9-19)26(31)28-23-6-4-5-7-25(23)34-3/h4-7,12-13,15,17,19-20,27H,8-11,14,16H2,1-3H3,(H,28,31)/t17-,19?,20?/m1/s1

InChI Key

HDNUBLWCMBDAME-QHGAOEGBSA-N

MDL Number (MFCD)

MFCD14900792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.829

Distribution Coefficient, logD

3.828

Water Solubility, LogSw

-4.06

Polar Surface Area

87.570

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

E589-3049 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Kinases Annotated Library (2415 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E589-3049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-3049?
Check Price and Availability of E589-3049, 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 E589-3049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-3049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-3049
  • 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 E589-3049 available by request