F037-0466 Screening compound: tetrahydro-2-furanylmethyl 5,5,11-trioxo-10-[3-(trifluoromethyl)benzyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate

F037-0466 Screening compound: tetrahydro-2-furanylmethyl 5,5,11-trioxo-10-[3-(trifluoromethyl)benzyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
F037-0466 Screening compound: tetrahydro-2-furanylmethyl 5,5,11-trioxo-10-[3-(trifluoromethyl)benzyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F037-0466
tetrahydro-2-furanylmethyl 5,5,11-trioxo-10-[3-(trifluoromethyl)benzyl]-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

F037-0466

Molecular Formula

C27H22F3NO6S (C27 H22 F3 NO6 S)

Compound Name

tetrahydro-2-furanylmethyl 5,5,11-trioxo-10-[3-(trifluoromethyl)benzyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate

IUPAC name

(oxolan-2-yl)methyl 2210-trioxo-9-{[3-(trifluoromethyl)phenyl]methyl}-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxylate

SMILES

O=C(c(cc1)cc(N(Cc2cc(C(F)(F)F)ccc2)C(c2c3cccc2)=O)c1S3(=O)=O)OCC1OCCC1

InChI

InChI=1S/C27H22F3NO6S/c28-27(29,30)19-6-3-5-17(13-19)15-31-22-14-18(26(33)37-16-20-7-4-12-36-20)10-11-24(22)38(34,35)23-9-2-1-8-21(23)25(31)32/h1-3,5-6,8-11,13-14,20H,4,7,12,15-16H2/t20-/m1/s1

InChI Key

VPZOWFPXNHSYGO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27096362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.552

Distribution Coefficient, logD

4.552

Water Solubility, LogSw

-4.58

Polar Surface Area

73.893

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

-12.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

F037-0466 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 F037-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F037-0466?
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What is the minimum amount of F037-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F037-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F037-0466
  • 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 F037-0466 available by request