K784-7799 Screening compound: 10-benzyl-N~8~-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

K784-7799 Screening compound: 10-benzyl-N~8~-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
K784-7799 Screening compound: 10-benzyl-N~8~-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-7799
10-benzyl-N~8~-cyclopentyl-11-oxo-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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K784-7799

Molecular Formula

C26H24N2O2S (C26 H24 N2 O2 S)

Compound Name

10-benzyl-N~8~-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-benzyl-N-cyclopentyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxamide

SMILES

O=C(c(cc1)cc(N2Cc3ccccc3)c1Sc(cccc1)c1C2=O)NC1CCCC1

InChI

InChI=1S/C26H24N2O2S/c29-25(27-20-10-4-5-11-20)19-14-15-24-22(16-19)28(17-18-8-2-1-3-9-18)26(30)21-12-6-7-13-23(21)31-24/h1-3,6-9,12-16,20H,4-5,10-11,17H2,(H,27,29)

InChI Key

GKJTXOMWHZIDCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.722

Distribution Coefficient, logD

5.722

Water Solubility, LogSw

-5.84

Polar Surface Area

39.905

Acid Dissociation Constant (pKa)

15.62

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K784-7799 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K784-7799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7799?
Check Price and Availability of K784-7799, 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 K784-7799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7799
  • 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 K784-7799 available by request