F089-0021 Screening compound: 2-ethoxyethyl 5,5,11-trioxo-10-(4-vinylbenzyl)-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate

F089-0021 Screening compound: 2-ethoxyethyl 5,5,11-trioxo-10-(4-vinylbenzyl)-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
F089-0021 Screening compound: 2-ethoxyethyl 5,5,11-trioxo-10-(4-vinylbenzyl)-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F089-0021
2-ethoxyethyl 5,5,11-trioxo-10-(4-vinylbenzyl)-10,11-dihydro-5H-5lambda~6~-dibenzo[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

F089-0021

Molecular Formula

C27H25NO6S (C27 H25 NO6 S)

Compound Name

2-ethoxyethyl 5,5,11-trioxo-10-(4-vinylbenzyl)-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate

IUPAC name

2-ethoxyethyl 9-[(4-ethenylphenyl)methyl]-2210-trioxo-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxylate

SMILES

CCOCCOC(c(cc1)cc(N(Cc2ccc(C=C)cc2)C(c2c3cccc2)=O)c1S3(=O)=O)=O

InChI

InChI=1S/C27H25NO6S/c1-3-19-9-11-20(12-10-19)18-28-23-17-21(27(30)34-16-15-33-4-2)13-14-25(23)35(31,32)24-8-6-5-7-22(24)26(28)29/h3,5-14,17H,1,4,15-16,18H2,2H3

InChI Key

MOLVGMGNKWYWKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14940491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.548

Distribution Coefficient, logD

4.548

Water Solubility, LogSw

-4.38

Polar Surface Area

73.406

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

-12.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

F089-0021 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F089-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F089-0021?
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What is the minimum amount of F089-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F089-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F089-0021
  • 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 F089-0021 available by request