C530-1914 Screening compound: 10-benzyl-N~8~-(2,2-dimethoxyethyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

C530-1914 Screening compound: 10-benzyl-N~8~-(2,2-dimethoxyethyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
C530-1914 Screening compound: 10-benzyl-N~8~-(2,2-dimethoxyethyl)-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 C530-1914
10-benzyl-N~8~-(2,2-dimethoxyethyl)-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

C530-1914

Molecular Formula

C25H24N2O6S (C25 H24 N2 O6 S)

Compound Name

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

IUPAC name

9-benzyl-N-(22-dimethoxyethyl)-2210-trioxo-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

COC(CNC(c(cc1)cc(N(Cc2ccccc2)C(c2c3cccc2)=O)c1S3(=O)=O)=O)OC

InChI

InChI=1S/C25H24N2O6S/c1-32-23(33-2)15-26-24(28)18-12-13-22-20(14-18)27(16-17-8-4-3-5-9-17)25(29)19-10-6-7-11-21(19)34(22,30)31/h3-14,23H,15-16H2,1-2H3,(H,26,28)

InChI Key

PZXXLTDWWDELRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.283

Distribution Coefficient, logD

2.283

Water Solubility, LogSw

-3.21

Polar Surface Area

84.560

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C530-1914 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C530-1914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C530-1914?
Check Price and Availability of C530-1914, 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 C530-1914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C530-1914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C530-1914
  • 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 C530-1914 available by request