C700-0592 Screening compound: 10-(3-chlorobenzyl)-N~8~-(1-naphthyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

C700-0592 Screening compound: 10-(3-chlorobenzyl)-N~8~-(1-naphthyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
C700-0592 Screening compound: 10-(3-chlorobenzyl)-N~8~-(1-naphthyl)-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 C700-0592
10-(3-chlorobenzyl)-N~8~-(1-naphthyl)-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

C700-0592

Molecular Formula

C31H21ClN2O4S (C31 H21 ClN2 O4 S)

Compound Name

10-(3-chlorobenzyl)-N~8~-(1-naphthyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-[(3-chlorophenyl)methyl]-N-(naphthalen-1-yl)-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(Cc2cccc(Cl)c2)C(c2c3cccc2)=O)c1S3(=O)=O)Nc1cccc2ccccc12

InChI

InChI=1S/C31H21ClN2O4S/c32-23-10-5-7-20(17-23)19-34-27-18-22(30(35)33-26-13-6-9-21-8-1-2-11-24(21)26)15-16-29(27)39(37,38)28-14-4-3-12-25(28)31(34)36/h1-18H,19H2,(H,33,35)

InChI Key

WJOOOZIPCXOYEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.04

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

5.991

Distribution Coefficient, logD

5.991

Water Solubility, LogSw

-6.46

Polar Surface Area

66.503

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.20

C700-0592 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C700-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0592?
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What is the minimum amount of C700-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0592
  • 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 C700-0592 available by request