K788-8384 Screening compound: 8-(1-azepanylcarbonyl)-10-(3-chlorobenzyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione

K788-8384 Screening compound: 8-(1-azepanylcarbonyl)-10-(3-chlorobenzyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
K788-8384 Screening compound: 8-(1-azepanylcarbonyl)-10-(3-chlorobenzyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8384
8-(1-azepanylcarbonyl)-10-(3-chlorobenzyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione

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

K788-8384

Molecular Formula

C27H25ClN2O3S (C27 H25 ClN2 O3 S)

Compound Name

8-(1-azepanylcarbonyl)-10-(3-chlorobenzyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione

IUPAC name

6-(azepane-1-carbonyl)-9-[(3-chlorophenyl)methyl]-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-210-dione

SMILES

O=C(c(cc1)cc(N(Cc2cccc(Cl)c2)C(c2c3cccc2)=O)c1S3=O)N1CCCCCC1

InChI

InChI=1S/C27H27ClN2O3S/c28-21-9-7-8-19(16-21)18-30-23-17-20(26(31)29-14-5-1-2-6-15-29)12-13-25(23)34(33)24-11-4-3-10-22(24)27(30)32/h3-4,7-13,16-17H,1-2,5-6,14-15,18,34H2

InChI Key

NNLWEEKONVVJCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.588

Distribution Coefficient, logD

4.588

Water Solubility, LogSw

-4.59

Polar Surface Area

47.764

Acid Dissociation Constant (pKa)

26.37

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

K788-8384 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K788-8384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8384?
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What is the minimum amount of K788-8384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8384
  • 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 K788-8384 available by request