K784-7805 Screening compound: 10-benzyl-N~8~-(4-chlorophenethyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

K784-7805 Screening compound: 10-benzyl-N~8~-(4-chlorophenethyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
K784-7805 Screening compound: 10-benzyl-N~8~-(4-chlorophenethyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-7805
10-benzyl-N~8~-(4-chlorophenethyl)-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

K784-7805

Molecular Formula

C29H23ClN2O2S (C29 H23 ClN2 O2 S)

Compound Name

10-benzyl-N~8~-(4-chlorophenethyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-benzyl-N-[2-(4-chlorophenyl)ethyl]-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxamide

SMILES

O=C(c(cc1)cc(N2Cc3ccccc3)c1Sc(cccc1)c1C2=O)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C29H23ClN2O2S/c30-23-13-10-20(11-14-23)16-17-31-28(33)22-12-15-27-25(18-22)32(19-21-6-2-1-3-7-21)29(34)24-8-4-5-9-26(24)35-27/h1-15,18H,16-17,19H2,(H,31,33)

InChI Key

IXBVZQMSMTUZCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.373

Distribution Coefficient, logD

6.373

Water Solubility, LogSw

-6.28

Polar Surface Area

39.655

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

K784-7805 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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 K784-7805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7805?
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What is the minimum amount of K784-7805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7805
  • 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 K784-7805 available by request