Screening compound: C29H22BrClN2O3S (K786-3628)

Screening compound: C<sub>29</sub>H<sub>22</sub>BrClN<sub>2</sub>O<sub>3</sub>S (K786-3628)
Screening compound: C<sub>29</sub>H<sub>22</sub>BrClN<sub>2</sub>O<sub>3</sub>S (K786-3628) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C29H22BrClN2O3S (K786-3628)

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

K786-3628

Molecular Formula

C29H22BrClN2O3S (C29 H22 BrClN2 O3 S)

Compound Name

N~8~-(5-bromo-2-methoxybenzyl)-10-(3-chlorobenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-9-[(3-chlorophenyl)methyl]-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxamide

SMILES

COc(cc1)c(CNC(c(cc2)cc(N3Cc4cc(Cl)ccc4)c2Sc(cccc2)c2C3=O)=O)cc1Br

InChI

InChI=1S/C29H22BrClN2O3S/c1-36-25-11-10-21(30)14-20(25)16-32-28(34)19-9-12-27-24(15-19)33(17-18-5-4-6-22(31)13-18)29(35)23-7-2-3-8-26(23)37-27/h2-15H,16-17H2,1H3,(H,32,34)

InChI Key

FHHMDARYROCLQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100870

C29H22BrClN2O3S (K786-3628) in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C29H22BrClN2O3S (K786-3628) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C29H22BrClN2O3S (K786-3628)?
Check Price and Availability of C29H22BrClN2O3S (K786-3628), then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C29H22BrClN2O3S (K786-3628) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C29H22BrClN2O3S (K786-3628)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C29H22BrClN2O3S (K786-3628)
  • 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 C29H22BrClN2O3S (K786-3628) available by request