C530-1114 Screening compound: 10-(2-fluorobenzyl)-N~8~-(2-furylmethyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

C530-1114 Screening compound: 10-(2-fluorobenzyl)-N~8~-(2-furylmethyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
C530-1114 Screening compound: 10-(2-fluorobenzyl)-N~8~-(2-furylmethyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C530-1114
10-(2-fluorobenzyl)-N~8~-(2-furylmethyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

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

C530-1114

Molecular Formula

C26H19FN2O5S (C26 H19 FN2 O5 S)

Compound Name

10-(2-fluorobenzyl)-N~8~-(2-furylmethyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-[(2-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-2210-trioxo-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

O=C(c(cc1)cc(N(Cc(cccc2)c2F)C(c2c3cccc2)=O)c1S3(=O)=O)NCc1ccco1

InChI

InChI=1S/C26H19FN2O5S/c27-21-9-3-1-6-18(21)16-29-22-14-17(25(30)28-15-19-7-5-13-34-19)11-12-24(22)35(32,33)23-10-4-2-8-20(23)26(29)31/h1-14H,15-16H2,(H,28,30)

InChI Key

BQVZVICYHJNIHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.126

Distribution Coefficient, logD

4.126

Water Solubility, LogSw

-4.43

Polar Surface Area

76.543

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

C530-1114 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C530-1114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C530-1114?
Check Price and Availability of C530-1114, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C530-1114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C530-1114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C530-1114
  • 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 C530-1114 available by request