F037-0457 Screening compound: tetrahydro-2-furanylmethyl 10-(3-chlorobenzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate

F037-0457 Screening compound: tetrahydro-2-furanylmethyl 10-(3-chlorobenzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
F037-0457 Screening compound: tetrahydro-2-furanylmethyl 10-(3-chlorobenzyl)-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 F037-0457
tetrahydro-2-furanylmethyl 10-(3-chlorobenzyl)-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

F037-0457

Molecular Formula

C26H22ClNO6S (C26 H22 ClNO6 S)

Compound Name

tetrahydro-2-furanylmethyl 10-(3-chlorobenzyl)-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-[(3-chlorophenyl)methyl]-2210-trioxo-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(Cc2cccc(Cl)c2)C(c2c3cccc2)=O)c1S3(=O)=O)OCC1OCCC1

InChI

InChI=1S/C26H22ClNO6S/c27-19-6-3-5-17(13-19)15-28-22-14-18(26(30)34-16-20-7-4-12-33-20)10-11-24(22)35(31,32)23-9-2-1-8-21(23)25(28)29/h1-3,5-6,8-11,13-14,20H,4,7,12,15-16H2/t20-/m1/s1

InChI Key

MCAPFYAMFPULTI-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14937947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.98

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.451

Distribution Coefficient, logD

4.451

Water Solubility, LogSw

-4.58

Polar Surface Area

73.893

Acid Dissociation Constant (pKa)

26.37

Base Dissociation Constant (pKb)

-12.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

F037-0457 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F037-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F037-0457?
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What is the minimum amount of F037-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F037-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F037-0457
  • 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 F037-0457 available by request