Screening compound: WKJAETPKBJKSAB-UHFFFAOYSA-N

Screening compound: WKJAETPKBJKSAB-UHFFFAOYSA-N
Screening compound: WKJAETPKBJKSAB-UHFFFAOYSA-N alternative view

Chemical Structure Depiction of ChemDiv screening compound
WKJAETPKBJKSAB-UHFFFAOYSA-N

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

K788-8353

Molecular Formula

C30H25ClN4O3S (C30 H25 ClN4 O3 S)

Compound Name

10-(3-chlorobenzyl)-8-{[4-(2-pyridyl)piperazino]carbonyl}-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione

IUPAC name

9-[(3-chlorophenyl)methyl]-6-[4-(pyridin-2-yl)piperazine-1-carbonyl]-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-210-dione

SMILES

O=C(c(cc1)cc(N(Cc2cccc(Cl)c2)C(c2c3cccc2)=O)c1S3=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C30H27ClN4O3S/c31-23-7-5-6-21(18-23)20-35-25-19-22(11-12-27(25)39(38)26-9-2-1-8-24(26)30(35)37)29(36)34-16-14-33(15-17-34)28-10-3-4-13-32-28/h1-13,18-19H,14-17,20,39H2

InChI Key

WKJAETPKBJKSAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107710

WKJAETPKBJKSAB-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics

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

Frequently Asked Questions

How to purchase chemical compound WKJAETPKBJKSAB-UHFFFAOYSA-N?
Check Price and Availability of WKJAETPKBJKSAB-UHFFFAOYSA-N, 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 WKJAETPKBJKSAB-UHFFFAOYSA-N you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for WKJAETPKBJKSAB-UHFFFAOYSA-N
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for WKJAETPKBJKSAB-UHFFFAOYSA-N
  • 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 WKJAETPKBJKSAB-UHFFFAOYSA-N available by request