G599-0506 Screening compound: 2-furylmethyl 10-(4-methylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

G599-0506 Screening compound: 2-furylmethyl 10-(4-methylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
G599-0506 Screening compound: 2-furylmethyl 10-(4-methylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G599-0506
2-furylmethyl 10-(4-methylbenzyl)-11-oxo-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

G599-0506

Molecular Formula

C27H21NO4S (C27 H21 NO4 S)

Compound Name

2-furylmethyl 10-(4-methylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

IUPAC name

(furan-2-yl)methyl 9-[(4-methylphenyl)methyl]-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxylate

SMILES

Cc1ccc(CN(c(cc(cc2)C(OCc3ccco3)=O)c2Sc2c3cccc2)C3=O)cc1

InChI

InChI=1S/C27H21NO4S/c1-18-8-10-19(11-9-18)16-28-23-15-20(27(30)32-17-21-5-4-14-31-21)12-13-25(23)33-24-7-3-2-6-22(24)26(28)29/h2-15H,16-17H2,1H3

InChI Key

FPTFSVQTUYJOOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.649

Distribution Coefficient, logD

6.649

Water Solubility, LogSw

-5.59

Polar Surface Area

44.007

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

-7.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G599-0506 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with G599-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G599-0506?
Check Price and Availability of G599-0506, 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 G599-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G599-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G599-0506
  • 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 G599-0506 available by request