Screening compound: HJERCWYITZGPDA-UHFFFAOYSA-N

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

Chemical Structure Depiction of ChemDiv screening compound
HJERCWYITZGPDA-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

F037-0074

Molecular Formula

C24H18F3NO5S (C24 H18 F3 NO5 S)

Compound Name

ethyl 5,5,11-trioxo-10-[3-(trifluoromethyl)benzyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate

IUPAC name

ethyl 2210-trioxo-9-{[3-(trifluoromethyl)phenyl]methyl}-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxylate

SMILES

CCOC(c(cc1)cc(N(Cc2cc(C(F)(F)F)ccc2)C(c2c3cccc2)=O)c1S3(=O)=O)=O

InChI

InChI=1S/C24H18F3NO5S/c1-2-33-23(30)16-10-11-21-19(13-16)28(14-15-6-5-7-17(12-15)24(25,26)27)22(29)18-8-3-4-9-20(18)34(21,31)32/h3-13H,2,14H2,1H3

InChI Key

HJERCWYITZGPDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14937931

HJERCWYITZGPDA-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

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

Frequently Asked Questions

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