G599-0030 Screening compound: 2-ethoxyethyl 10-[2-(3-fluoroanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

G599-0030 Screening compound: 2-ethoxyethyl 10-[2-(3-fluoroanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
G599-0030 Screening compound: 2-ethoxyethyl 10-[2-(3-fluoroanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G599-0030
2-ethoxyethyl 10-[2-(3-fluoroanilino)-2-oxoethyl]-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

G599-0030

Molecular Formula

C26H23FN2O5S (C26 H23 FN2 O5 S)

Compound Name

2-ethoxyethyl 10-[2-(3-fluoroanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

IUPAC name

2-ethoxyethyl 9-{[(3-fluorophenyl)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(Nc3cc(F)ccc3)=O)c1Sc(cccc1)c1C2=O)=O

InChI

InChI=1S/C26H23FN2O5S/c1-2-33-12-13-34-26(32)17-10-11-23-21(14-17)29(25(31)20-8-3-4-9-22(20)35-23)16-24(30)28-19-7-5-6-18(27)15-19/h3-11,14-15H,2,12-13,16H2,1H3,(H,28,30)

InChI Key

TYKDPHAIPWIFBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.54

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

5.123

Distribution Coefficient, logD

5.122

Water Solubility, LogSw

-4.89

Polar Surface Area

67.575

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

G599-0030 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 G599-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G599-0030?
Check Price and Availability of G599-0030, 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 G599-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G599-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G599-0030
  • 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 G599-0030 available by request