K788-8423 Screening compound: N~8~-{3-[benzyl(butyl)amino]propyl}-10-(3-chlorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

K788-8423 Screening compound: N~8~-{3-[benzyl(butyl)amino]propyl}-10-(3-chlorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
K788-8423 Screening compound: N~8~-{3-[benzyl(butyl)amino]propyl}-10-(3-chlorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8423
N~8~-{3-[benzyl(butyl)amino]propyl}-10-(3-chlorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[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

K788-8423

Molecular Formula

C35H36ClN3O3S (C35 H36 ClN3 O3 S)

Compound Name

N~8~-{3-[benzyl(butyl)amino]propyl}-10-(3-chlorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-{3-[benzyl(butyl)amino]propyl}-9-[(3-chlorophenyl)methyl]-210-dioxo-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxamide

SMILES

CCCCN(CCCNC(c(cc1)cc(N(Cc2cccc(Cl)c2)C(c2c3cccc2)=O)c1S3=O)=O)Cc1ccccc1

InChI

InChI=1S/C35H38ClN3O3S/c1-2-3-20-38(24-26-11-5-4-6-12-26)21-10-19-37-34(40)28-17-18-33-31(23-28)39(25-27-13-9-14-29(36)22-27)35(41)30-15-7-8-16-32(30)43(33)42/h4-9,11-18,22-23H,2-3,10,19-21,24-25,43H2,1H3,(H,37,40)

InChI Key

ADHITYAMBJFMAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

614.21

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.074

Distribution Coefficient, logD

4.511

Water Solubility, LogSw

-5.81

Polar Surface Area

58.980

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.70

K788-8423 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K788-8423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8423?
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What is the minimum amount of K788-8423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8423
  • 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 K788-8423 available by request