G599-0507 Screening compound: 2-furylmethyl 11-oxo-10-[2-oxo-2-(1-pyrrolidinyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

G599-0507 Screening compound: 2-furylmethyl 11-oxo-10-[2-oxo-2-(1-pyrrolidinyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
G599-0507 Screening compound: 2-furylmethyl 11-oxo-10-[2-oxo-2-(1-pyrrolidinyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G599-0507
2-furylmethyl 11-oxo-10-[2-oxo-2-(1-pyrrolidinyl)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

G599-0507

Molecular Formula

C25H22N2O5S (C25 H22 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(cc(cc1)C(OCc2ccco2)=O)c1Sc1c2cccc1)C2=O)N1CCCC1

InChI

InChI=1S/C25H22N2O5S/c28-23(26-11-3-4-12-26)15-27-20-14-17(25(30)32-16-18-6-5-13-31-18)9-10-22(20)33-21-8-2-1-7-19(21)24(27)29/h1-2,5-10,13-14H,3-4,11-12,15-16H2

InChI Key

AWRXNDOKYBUMNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.341

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.36

Polar Surface Area

60.765

Acid Dissociation Constant (pKa)

22.22

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

G599-0507 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G599-0507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G599-0507?
Check Price and Availability of G599-0507, 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 G599-0507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G599-0507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G599-0507
  • 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 G599-0507 available by request