C530-1855 Screening compound: 10-benzyl-8-{[4-(2-methoxyphenyl)piperazino]carbonyl}-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione

C530-1855 Screening compound: 10-benzyl-8-{[4-(2-methoxyphenyl)piperazino]carbonyl}-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
C530-1855 Screening compound: 10-benzyl-8-{[4-(2-methoxyphenyl)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 C530-1855
10-benzyl-8-{[4-(2-methoxyphenyl)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

C530-1855

Molecular Formula

C32H29N3O5S (C32 H29 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1N(CC1)CCN1C(c(cc1)cc(N(Cc2ccccc2)C(c2c3cccc2)=O)c1S3(=O)=O)=O

InChI

InChI=1S/C32H29N3O5S/c1-40-28-13-7-6-12-26(28)33-17-19-34(20-18-33)31(36)24-15-16-30-27(21-24)35(22-23-9-3-2-4-10-23)32(37)25-11-5-8-14-29(25)41(30,38)39/h2-16,21H,17-20,22H2,1H3

InChI Key

BMMKVIAVYUJECE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.202

Distribution Coefficient, logD

4.202

Water Solubility, LogSw

-4.27

Polar Surface Area

71.619

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C530-1855 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 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)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C530-1855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C530-1855?
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What is the minimum amount of C530-1855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C530-1855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C530-1855
  • 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 C530-1855 available by request