Screening compound: YBRBBOQHOBNZAI-UHFFFAOYSA-N

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

Chemical Structure Depiction of ChemDiv screening compound
YBRBBOQHOBNZAI-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

C529-0745

Molecular Formula

C29H27FN2O3S (C29 H27 FN2 O3 S)

Compound Name

N~8~-[2-(1-cyclohexenyl)ethyl]-10-(2-fluorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-9-[(2-fluorophenyl)methyl]-210-dioxo-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

O=C(c(cc1)cc(N(Cc(cccc2)c2F)C(c2c3cccc2)=O)c1S3=O)NCCC1=CCCCC1

InChI

InChI=1S/C29H29FN2O3S/c30-24-12-6-4-10-22(24)19-32-25-18-21(28(33)31-17-16-20-8-2-1-3-9-20)14-15-27(25)36(35)26-13-7-5-11-23(26)29(32)34/h4-8,10-15,18H,1-3,9,16-17,19,36H2,(H,31,33)

InChI Key

YBRBBOQHOBNZAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767366

YBRBBOQHOBNZAI-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • 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

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

Frequently Asked Questions

How to purchase chemical compound YBRBBOQHOBNZAI-UHFFFAOYSA-N?
Check Price and Availability of YBRBBOQHOBNZAI-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 YBRBBOQHOBNZAI-UHFFFAOYSA-N you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for YBRBBOQHOBNZAI-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 YBRBBOQHOBNZAI-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 YBRBBOQHOBNZAI-UHFFFAOYSA-N available by request