G589-0386 Screening compound: 4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide

G589-0386 Screening compound: 4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
G589-0386 Screening compound: 4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G589-0386
4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-N-(2-methoxyphenyl)-1,4-diazepane-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

G589-0386

Molecular Formula

C23H28N4O4S (C23 H28 N4 O4 S)

Compound Name

4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide

IUPAC name

4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-N-(2-methoxyphenyl)-14-diazepane-1-carboxamide

SMILES

CCn(cc1)c(cc2)c1cc2S(N(CCC1)CCN1C(Nc(cccc1)c1OC)=O)(=O)=O

InChI

InChI=1S/C23H28N4O4S/c1-3-25-14-11-18-17-19(9-10-21(18)25)32(29,30)27-13-6-12-26(15-16-27)23(28)24-20-7-4-5-8-22(20)31-2/h4-5,7-11,14,17H,3,6,12-13,15-16H2,1-2H3,(H,24,28)

InChI Key

WKIXZZJYKAJWIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.391

Distribution Coefficient, logD

3.391

Water Solubility, LogSw

-3.71

Polar Surface Area

66.325

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G589-0386 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G589-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G589-0386?
Check Price and Availability of G589-0386, 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 G589-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G589-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G589-0386
  • 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 G589-0386 available by request