K784-7397 Screening compound: 8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-10-(4-methylbenzyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one

K784-7397 Screening compound: 8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-10-(4-methylbenzyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
K784-7397 Screening compound: 8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-10-(4-methylbenzyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-7397
8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-10-(4-methylbenzyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one

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

K784-7397

Molecular Formula

C29H28N2O4S (C29 H28 N2 O4 S)

Compound Name

8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-10-(4-methylbenzyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

6-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-9-[(4-methylphenyl)methyl]-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaen-10-one

SMILES

Cc1ccc(CN(c(cc(cc2)C(N(CC3)CCC33OCCO3)=O)c2Sc2c3cccc2)C3=O)cc1

InChI

InChI=1S/C29H28N2O4S/c1-20-6-8-21(9-7-20)19-31-24-18-22(27(32)30-14-12-29(13-15-30)34-16-17-35-29)10-11-26(24)36-25-5-3-2-4-23(25)28(31)33/h2-11,18H,12-17,19H2,1H3

InChI Key

QQCOUVJNLUOQDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.661

Distribution Coefficient, logD

4.661

Water Solubility, LogSw

-4.37

Polar Surface Area

46.486

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

K784-7397 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K784-7397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7397?
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What is the minimum amount of K784-7397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7397
  • 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 K784-7397 available by request