C530-0929 Screening compound: 10-(4-chlorobenzyl)-8-(2,3-dihydro-1H-indol-1-ylcarbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione

Chemical Structure Depiction of ChemDiv screening compound C530-0929
10-(4-chlorobenzyl)-8-(2,3-dihydro-1H-indol-1-ylcarbonyl)-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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C530-0929

Molecular Formula

C₂₉H₂₁ClN₂O₄S (C29 H21 ClN2 O4 S)

Compound Name

10-(4-chlorobenzyl)-8-(2,3-dihydro-1H-indol-1-ylcarbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione

IUPAC name

9-[(4-chlorophenyl)methyl]-6-(23-dihydro-1H-indole-1-carbonyl)-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-2210-trione

SMILES

O=C(c(cc1)cc(N(Cc(cc2)ccc2Cl)C(c2c3cccc2)=O)c1S3(=O)=O)N(CC1)c2c1cccc2

InChI

InChI=1S/C29H21ClN2O4S/c30-22-12-9-19(10-13-22)18-32-25-17-21(28(33)31-16-15-20-5-1-3-7-24(20)31)11-14-27(25)37(35,36)26-8-4-2-6-23(26)29(32)34/h1-14,17H,15-16,18H2

InChI Key

CPACSKSKMFVGRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.106

Distribution Coefficient, logD

5.106

Water Solubility, LogSw

-5.40

Polar Surface Area

60.060

Acid Dissociation Constant (pK_a)

25.87

Base Dissociation Constant (pK_b)

-2.46

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

10.30

C530-0929 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 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
Antiviral
Infections
Immune system
Cancer
Digestive system
Respiratory tract
Nervous system
Eye
Cardiovascular

Targets:

Kinases
GPCR

Mechanism of action:

PPI modulators
Receptor's ligands
PPI modulators

References: we are preparing a list of scientific research reports with C530-0929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C530-0929?
Check Price and Availability of C530-0929, 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 C530-0929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for C530-0929
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for C530-0929

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 C530-0929 available by request