K786-7306 Screening compound: 10-(2-methylbenzyl)-11-oxo-N~8~-(2-thienylmethyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

Chemical Structure Depiction of ChemDiv screening compound K786-7306
10-(2-methylbenzyl)-11-oxo-N~8~-(2-thienylmethyl)-10,11-dihydrodibenzo[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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K786-7306

Molecular Formula

C₂₇H₂₂N₂O₂S₂ (C27 H22 N2 O2 S2)

Compound Name

10-(2-methylbenzyl)-11-oxo-N~8~-(2-thienylmethyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-[(2-methylphenyl)methyl]-10-oxo-N-[(thiophen-2-yl)methyl]-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

Cc1c(CN(c(cc(cc2)C(NCc3cccs3)=O)c2Sc2c3cccc2)C3=O)cccc1

InChI

InChI=1S/C27H22N2O2S2/c1-18-7-2-3-8-20(18)17-29-23-15-19(26(30)28-16-21-9-6-14-32-21)12-13-25(23)33-24-11-5-4-10-22(24)27(29)31/h2-15H,16-17H2,1H3,(H,28,30)

InChI Key

PWACDPADNOSISK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

6.438

Distribution Coefficient, logD

6.438

Water Solubility, LogSw

-5.55

Polar Surface Area

40.832

Acid Dissociation Constant (pK_a)

13.29

Base Dissociation Constant (pK_b)

-4.26

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

11.10

K786-7306 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

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

CNS targets activity set (6557 compounds)

Human Proteases Annotated Library (2868 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:

Antiviral
Infections
Immune system

Mechanism of action:

PPI modulators
PPI modulators

References: we are preparing a list of scientific research reports with K786-7306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-7306?
Check Price and Availability of K786-7306, 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 K786-7306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K786-7306
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K786-7306

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 K786-7306 available by request