F037-0467 Screening compound: tetrahydro-2-furanylmethyl 10-(3-methoxybenzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate

F037-0467 Screening compound: tetrahydro-2-furanylmethyl 10-(3-methoxybenzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
F037-0467 Screening compound: tetrahydro-2-furanylmethyl 10-(3-methoxybenzyl)-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 F037-0467
tetrahydro-2-furanylmethyl 10-(3-methoxybenzyl)-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

F037-0467

Molecular Formula

C27H25NO7S (C27 H25 NO7 S)

Compound Name

tetrahydro-2-furanylmethyl 10-(3-methoxybenzyl)-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-methoxyphenyl)methyl]-2210-trioxo-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxylate

SMILES

COc1cccc(CN(c(cc(cc2)C(OCC3OCCC3)=O)c2S(c2c3cccc2)(=O)=O)C3=O)c1

InChI

InChI=1S/C27H25NO7S/c1-33-20-7-4-6-18(14-20)16-28-23-15-19(27(30)35-17-21-8-5-13-34-21)11-12-25(23)36(31,32)24-10-3-2-9-22(24)26(28)29/h2-4,6-7,9-12,14-15,21H,5,8,13,16-17H2,1H3/t21-/m1/s1

InChI Key

HGQHRVCEXYSQOL-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD27096363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.56

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

3.851

Distribution Coefficient, logD

3.851

Water Solubility, LogSw

-4.09

Polar Surface Area

81.437

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

-10.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

F037-0467 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F037-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F037-0467?
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What is the minimum amount of F037-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F037-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F037-0467
  • 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 F037-0467 available by request