K784-7777 Screening compound: N~8~-cyclopentyl-10-(3-methylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

K784-7777 Screening compound: N~8~-cyclopentyl-10-(3-methylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
K784-7777 Screening compound: N~8~-cyclopentyl-10-(3-methylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-7777
N~8~-cyclopentyl-10-(3-methylbenzyl)-11-oxo-10,11-dihydrodibenzo[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

K784-7777

Molecular Formula

C27H26N2O2S (C27 H26 N2 O2 S)

Compound Name

N~8~-cyclopentyl-10-(3-methylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-cyclopentyl-9-[(3-methylphenyl)methyl]-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxamide

SMILES

Cc1cccc(CN(c(cc(cc2)C(NC3CCCC3)=O)c2Sc2c3cccc2)C3=O)c1

InChI

InChI=1S/C27H26N2O2S/c1-18-7-6-8-19(15-18)17-29-23-16-20(26(30)28-21-9-2-3-10-21)13-14-25(23)32-24-12-5-4-11-22(24)27(29)31/h4-8,11-16,21H,2-3,9-10,17H2,1H3,(H,28,30)

InChI Key

FVZDELVQJKXAGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.368

Distribution Coefficient, logD

6.368

Water Solubility, LogSw

-5.49

Polar Surface Area

39.905

Acid Dissociation Constant (pKa)

15.62

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

K784-7777 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K784-7777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7777?
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What is the minimum amount of K784-7777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7777
  • 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 K784-7777 available by request