C530-1090 Screening compound: 10-(2-fluorobenzyl)-8-{[4-(2-furylcarbonyl)piperazino]carbonyl}-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione

C530-1090 Screening compound: 10-(2-fluorobenzyl)-8-{[4-(2-furylcarbonyl)piperazino]carbonyl}-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
C530-1090 Screening compound: 10-(2-fluorobenzyl)-8-{[4-(2-furylcarbonyl)piperazino]carbonyl}-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C530-1090
10-(2-fluorobenzyl)-8-{[4-(2-furylcarbonyl)piperazino]carbonyl}-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione

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

C530-1090

Molecular Formula

C30H24FN3O6S (C30 H24 FN3 O6 S)

Compound Name

10-(2-fluorobenzyl)-8-{[4-(2-furylcarbonyl)piperazino]carbonyl}-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione

IUPAC name

9-[(2-fluorophenyl)methyl]-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-2210-trione

SMILES

O=C(c1ccco1)N(CC1)CCN1C(c(cc1)cc(N(Cc(cccc2)c2F)C(c2c3cccc2)=O)c1S3(=O)=O)=O

InChI

InChI=1S/C30H24FN3O6S/c31-23-8-3-1-6-21(23)19-34-24-18-20(11-12-27(24)41(38,39)26-10-4-2-7-22(26)29(34)36)28(35)32-13-15-33(16-14-32)30(37)25-9-5-17-40-25/h1-12,17-18H,13-16,19H2

InChI Key

BPUYPFSYHUGGRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.914

Distribution Coefficient, logD

2.914

Water Solubility, LogSw

-3.68

Polar Surface Area

86.064

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C530-1090 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 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 C530-1090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C530-1090?
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What is the minimum amount of C530-1090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C530-1090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C530-1090
  • 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 C530-1090 available by request