G589-0414 Screening compound: N-(3-chloro-2-methylphenyl)-4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-1,4-diazepane-1-carboxamide

G589-0414 Screening compound: N-(3-chloro-2-methylphenyl)-4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-1,4-diazepane-1-carboxamide
G589-0414 Screening compound: N-(3-chloro-2-methylphenyl)-4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G589-0414
N-(3-chloro-2-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

G589-0414

Molecular Formula

C23H27ClN4O3S (C23 H27 ClN4 O3 S)

Compound Name

N-(3-chloro-2-methylphenyl)-4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-1,4-diazepane-1-carboxamide

IUPAC name

N-(3-chloro-2-methylphenyl)-4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-14-diazepane-1-carboxamide

SMILES

CCn(cc1)c(cc2)c1cc2S(N(CCC1)CCN1C(Nc1cccc(Cl)c1C)=O)(=O)=O

InChI

InChI=1S/C23H27ClN4O3S/c1-3-26-13-10-18-16-19(8-9-22(18)26)32(30,31)28-12-5-11-27(14-15-28)23(29)25-21-7-4-6-20(24)17(21)2/h4,6-10,13,16H,3,5,11-12,14-15H2,1-2H3,(H,25,29)

InChI Key

PYSAATAURWQRPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145211

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

4.446

Distribution Coefficient, logD

4.446

Water Solubility, LogSw

-4.48

Polar Surface Area

58.695

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G589-0414 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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 G589-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G589-0414?
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What is the minimum amount of G589-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G589-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G589-0414
  • 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 G589-0414 available by request