C700-1519 Screening compound: 10-benzyl-N~8~-(4-chlorophenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

C700-1519 Screening compound: 10-benzyl-N~8~-(4-chlorophenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
C700-1519 Screening compound: 10-benzyl-N~8~-(4-chlorophenyl)-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 C700-1519
10-benzyl-N~8~-(4-chlorophenyl)-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

C700-1519

Molecular Formula

C27H19ClN2O4S (C27 H19 ClN2 O4 S)

Compound Name

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

IUPAC name

n/a

SMILES

O=C(c(cc1)cc(N(Cc2ccccc2)C(c2c3cccc2)=O)c1S3(=O)=O)Nc(cc1)ccc1Cl

InChI

InChI=1S/C27H19ClN2O4S/c28-20-11-13-21(14-12-20)29-26(31)19-10-15-25-23(16-19)30(17-18-6-2-1-3-7-18)27(32)22-8-4-5-9-24(22)35(25,33)34/h1-16H,17H2,(H,29,31)

InChI Key

WXCWGBZFLQBAIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.164

Distribution Coefficient, logD

5.161

Water Solubility, LogSw

-5.51

Polar Surface Area

67.472

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

C700-1519 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 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:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C700-1519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-1519?
Check Price and Availability of C700-1519, 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 C700-1519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1519
  • 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 C700-1519 available by request