K788-8309 Screening compound: 10-(3-chlorobenzyl)-8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione

K788-8309 Screening compound: 10-(3-chlorobenzyl)-8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
K788-8309 Screening compound: 10-(3-chlorobenzyl)-8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8309
10-(3-chlorobenzyl)-8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-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

K788-8309

Molecular Formula

C28H25ClN2O5S (C28 H25 ClN2 O5 S)

Compound Name

10-(3-chlorobenzyl)-8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione

IUPAC name

9-[(3-chlorophenyl)methyl]-6-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-210-dione

SMILES

O=C(c(cc1)cc(N(Cc2cccc(Cl)c2)C(c2c3cccc2)=O)c1S3=O)N(CC1)CCC11OCCO1

InChI

InChI=1S/C28H27ClN2O5S/c29-21-5-3-4-19(16-21)18-31-23-17-20(26(32)30-12-10-28(11-13-30)35-14-15-36-28)8-9-25(23)37(34)24-7-2-1-6-22(24)27(31)33/h1-9,16-17H,10-15,18,37H2

InChI Key

GWABTAFBTHRSSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.04

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.154

Distribution Coefficient, logD

3.154

Water Solubility, LogSw

-3.80

Polar Surface Area

61.870

Acid Dissociation Constant (pKa)

26.37

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K788-8309 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K788-8309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8309?
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What is the minimum amount of K788-8309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8309
  • 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 K788-8309 available by request