K788-4562 Screening compound: N~8~-cyclohexyl-10-(3-fluorobenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

K788-4562 Screening compound: N~8~-cyclohexyl-10-(3-fluorobenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
K788-4562 Screening compound: N~8~-cyclohexyl-10-(3-fluorobenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4562
N~8~-cyclohexyl-10-(3-fluorobenzyl)-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

K788-4562

Molecular Formula

C27H25FN2O2S (C27 H25 FN2 O2 S)

Compound Name

N~8~-cyclohexyl-10-(3-fluorobenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-cyclohexyl-9-[(3-fluorophenyl)methyl]-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaene-6-carboxamide

SMILES

O=C(c(cc1)cc(N2Cc3cc(F)ccc3)c1Sc(cccc1)c1C2=O)NC1CCCCC1

InChI

InChI=1S/C27H25FN2O2S/c28-20-8-6-7-18(15-20)17-30-23-16-19(26(31)29-21-9-2-1-3-10-21)13-14-25(23)33-24-12-5-4-11-22(24)27(30)32/h4-8,11-16,21H,1-3,9-10,17H2,(H,29,31)

InChI Key

XYHAHKUSIBVWTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.57

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

6.299

Distribution Coefficient, logD

6.299

Water Solubility, LogSw

-5.99

Polar Surface Area

39.539

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

K788-4562 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with K788-4562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4562?
Check Price and Availability of K788-4562, 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 K788-4562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4562
  • 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 K788-4562 available by request