E589-2895 Screening compound: 4-[(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)methyl]-N-benzyl-N-methylcyclohexane-1-carboxamide

E589-2895 Screening compound: 4-[(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)methyl]-N-benzyl-N-methylcyclohexane-1-carboxamide
E589-2895 Screening compound: 4-[(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)methyl]-N-benzyl-N-methylcyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-2895
4-[(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)methyl]-N-benzyl-N-methylcyclohexane-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

E589-2895

Molecular Formula

C27H35N3O4S (C27 H35 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C1)N(C(C)=O)c(cc2)c1cc2S(NCC(CC1)CCC1C(N(C)Cc1ccccc1)=O)(=O)=O

InChI

InChI=1S/C27H35N3O4S/c1-19-15-24-16-25(13-14-26(24)30(19)20(2)31)35(33,34)28-17-21-9-11-23(12-10-21)27(32)29(3)18-22-7-5-4-6-8-22/h4-8,13-14,16,19,21,23,28H,9-12,15,17-18H2,1-3H3/t19-,21?,23?/m1/s1

InChI Key

AZYXMEGQHOWIRJ-VWRAKTAISA-N

MDL Number (MFCD)

MFCD14900747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.236

Distribution Coefficient, logD

4.236

Water Solubility, LogSw

-4.38

Polar Surface Area

73.696

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

E589-2895 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 E589-2895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-2895?
Check Price and Availability of E589-2895, 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 E589-2895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-2895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-2895
  • 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 E589-2895 available by request