K788-8626 Screening compound: 1-{[10-(3-chlorobenzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepin-8-yl]carbonyl}-4-piperidinecarboxamide

K788-8626 Screening compound: 1-{[10-(3-chlorobenzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepin-8-yl]carbonyl}-4-piperidinecarboxamide
K788-8626 Screening compound: 1-{[10-(3-chlorobenzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepin-8-yl]carbonyl}-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8626
1-{[10-(3-chlorobenzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepin-8-yl]carbonyl}-4-piperidinecarboxamide

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

K788-8626

Molecular Formula

C27H24ClN3O5S (C27 H24 ClN3 O5 S)

Compound Name

1-{[10-(3-chlorobenzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepin-8-yl]carbonyl}-4-piperidinecarboxamide

IUPAC name

1-{9-[(3-chlorophenyl)methyl]-2210-trioxo-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carbonyl}piperidine-4-carboxamide

SMILES

NC(C(CC1)CCN1C(c(cc1)cc(N(Cc2cccc(Cl)c2)C(c2c3cccc2)=O)c1S3(=O)=O)=O)=O

InChI

InChI=1S/C27H24ClN3O5S/c28-20-5-3-4-17(14-20)16-31-22-15-19(26(33)30-12-10-18(11-13-30)25(29)32)8-9-24(22)37(35,36)23-7-2-1-6-21(23)27(31)34/h1-9,14-15,18H,10-13,16H2,(H2,29,32)

InChI Key

OOZIUHNCVVEJJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.02

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.601

Distribution Coefficient, logD

2.601

Water Solubility, LogSw

-3.61

Polar Surface Area

95.088

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K788-8626 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K788-8626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8626?
Check Price and Availability of K788-8626, 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 K788-8626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8626
  • 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 K788-8626 available by request