C530-1067 Screening compound: 10-(2-fluorobenzyl)-8-[(4-methylpiperidino)carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione

C530-1067 Screening compound: 10-(2-fluorobenzyl)-8-[(4-methylpiperidino)carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
C530-1067 Screening compound: 10-(2-fluorobenzyl)-8-[(4-methylpiperidino)carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C530-1067
10-(2-fluorobenzyl)-8-[(4-methylpiperidino)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

C530-1067

Molecular Formula

C27H25FN2O4S (C27 H25 FN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C27H25FN2O4S/c1-18-12-14-29(15-13-18)26(31)19-10-11-25-23(16-19)30(17-20-6-2-4-8-22(20)28)27(32)21-7-3-5-9-24(21)35(25,33)34/h2-11,16,18H,12-15,17H2,1H3

InChI Key

OPYGIRQSJSGJBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.037

Distribution Coefficient, logD

4.037

Water Solubility, LogSw

-4.22

Polar Surface Area

61.029

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C530-1067 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C530-1067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C530-1067?
Check Price and Availability of C530-1067, 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 C530-1067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C530-1067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C530-1067
  • 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 C530-1067 available by request