F037-0464 Screening compound: tetrahydro-2-furanylmethyl 10-(2-cyanobenzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate

F037-0464 Screening compound: tetrahydro-2-furanylmethyl 10-(2-cyanobenzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
F037-0464 Screening compound: tetrahydro-2-furanylmethyl 10-(2-cyanobenzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F037-0464
tetrahydro-2-furanylmethyl 10-(2-cyanobenzyl)-5,5,11-trioxo-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

F037-0464

Molecular Formula

C27H22N2O6S (C27 H22 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1c(CN(c(cc(cc2)C(OCC3OCCC3)=O)c2S(c2c3cccc2)(=O)=O)C3=O)cccc1

InChI

InChI=1S/C27H22N2O6S/c28-15-19-6-1-2-7-20(19)16-29-23-14-18(27(31)35-17-21-8-5-13-34-21)11-12-25(23)36(32,33)24-10-4-3-9-22(24)26(29)30/h1-4,6-7,9-12,14,21H,5,8,13,16-17H2/t21-/m1/s1

InChI Key

RFNOBSCAPMFNPS-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14937951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.461

Distribution Coefficient, logD

3.461

Water Solubility, LogSw

-3.92

Polar Surface Area

90.949

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

F037-0464 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 F037-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F037-0464?
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What is the minimum amount of F037-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F037-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F037-0464
  • 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 F037-0464 available by request