G599-0028 Screening compound: 2-ethoxyethyl 11-oxo-10-[2-oxo-2-(2-toluidino)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

G599-0028 Screening compound: 2-ethoxyethyl 11-oxo-10-[2-oxo-2-(2-toluidino)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
G599-0028 Screening compound: 2-ethoxyethyl 11-oxo-10-[2-oxo-2-(2-toluidino)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G599-0028
2-ethoxyethyl 11-oxo-10-[2-oxo-2-(2-toluidino)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

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

G599-0028

Molecular Formula

C27H26N2O5S (C27 H26 N2 O5 S)

Compound Name

2-ethoxyethyl 11-oxo-10-[2-oxo-2-(2-toluidino)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

IUPAC name

2-ethoxyethyl 9-{[(2-methylphenyl)carbamoyl]methyl}-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxylate

SMILES

CCOCCOC(c(cc1)cc(N2CC(Nc3c(C)cccc3)=O)c1Sc(cccc1)c1C2=O)=O

InChI

InChI=1S/C27H26N2O5S/c1-3-33-14-15-34-27(32)19-12-13-24-22(16-19)29(26(31)20-9-5-7-11-23(20)35-24)17-25(30)28-21-10-6-4-8-18(21)2/h4-13,16H,3,14-15,17H2,1-2H3,(H,28,30)

InChI Key

SGRMAVWEGDSTGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.764

Distribution Coefficient, logD

4.764

Water Solubility, LogSw

-4.46

Polar Surface Area

66.877

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G599-0028 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G599-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G599-0028?
Check Price and Availability of G599-0028, 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 G599-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G599-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G599-0028
  • 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 G599-0028 available by request