G589-0413 Screening compound: ethyl 4-({4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-1,4-diazepane-1-carbonyl}amino)benzoate

G589-0413 Screening compound: ethyl 4-({4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-1,4-diazepane-1-carbonyl}amino)benzoate
G589-0413 Screening compound: ethyl 4-({4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-1,4-diazepane-1-carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G589-0413
ethyl 4-({4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-1,4-diazepane-1-carbonyl}amino)benzoate

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

G589-0413

Molecular Formula

C25H30N4O5S (C25 H30 N4 O5 S)

Compound Name

ethyl 4-({4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-1,4-diazepane-1-carbonyl}amino)benzoate

IUPAC name

ethyl 4-({4-[(1-ethyl-1H-indol-5-yl)sulfonyl]-14-diazepane-1-carbonyl}amino)benzoate

SMILES

CCn(cc1)c(cc2)c1cc2S(N(CCC1)CCN1C(Nc(cc1)ccc1C(OCC)=O)=O)(=O)=O

InChI

InChI=1S/C25H30N4O5S/c1-3-27-15-12-20-18-22(10-11-23(20)27)35(32,33)29-14-5-13-28(16-17-29)25(31)26-21-8-6-19(7-9-21)24(30)34-4-2/h6-12,15,18H,3-5,13-14,16-17H2,1-2H3,(H,26,31)

InChI Key

JOXALDMGGZTWND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.844

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-3.91

Polar Surface Area

80.146

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

G589-0413 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G589-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G589-0413?
Check Price and Availability of G589-0413, 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 G589-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G589-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G589-0413
  • 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 G589-0413 available by request