G589-0400 Screening compound: N-(2-chloro-4-methylphenyl)-4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-1,4-diazepane-1-carboxamide

G589-0400 Screening compound: N-(2-chloro-4-methylphenyl)-4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-1,4-diazepane-1-carboxamide
G589-0400 Screening compound: N-(2-chloro-4-methylphenyl)-4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G589-0400
N-(2-chloro-4-methylphenyl)-4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-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

G589-0400

Molecular Formula

C23H27ClN4O3S (C23 H27 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCn(cc1)c(cc2)c1cc2S(N(CCC1)CCN1C(Nc(ccc(C)c1)c1Cl)=O)(=O)=O

InChI

InChI=1S/C23H27ClN4O3S/c1-3-26-12-9-18-16-19(6-8-22(18)26)32(30,31)28-11-4-10-27(13-14-28)23(29)25-21-7-5-17(2)15-20(21)24/h5-9,12,15-16H,3-4,10-11,13-14H2,1-2H3,(H,25,29)

InChI Key

KACJCLWLIGYDSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.362

Distribution Coefficient, logD

4.362

Water Solubility, LogSw

-4.44

Polar Surface Area

58.695

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G589-0400 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G589-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G589-0400?
Check Price and Availability of G589-0400, 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 G589-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G589-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G589-0400
  • 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 G589-0400 available by request