Screening compound: YBYFITJDGMWPIT-UHFFFAOYSA-N

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

Chemical Structure Depiction of ChemDiv screening compound
YBYFITJDGMWPIT-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

C604-0010

Molecular Formula

C26H28N4O4S2 (C26 H28 N4 O4 S2)

Compound Name

N~1~-(2-hydroxyethyl)-4-[2-({2-[(4-methylbenzyl)amino]-2-oxoethyl}sulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide

IUPAC name

N-(2-hydroxyethyl)-4-{4-[({[(4-methylphenyl)methyl]carbamoyl}methyl)sulfanyl]-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl}butanamide

SMILES

Cc1ccc(CNC(CSC(N(CCCC(NCCO)=O)C2=O)=Nc3c2sc2c3cccc2)=O)cc1

InChI

InChI=1S/C26H28N4O4S2/c1-17-8-10-18(11-9-17)15-28-22(33)16-35-26-29-23-19-5-2-3-6-20(19)36-24(23)25(34)30(26)13-4-7-21(32)27-12-14-31/h2-3,5-6,8-11,31H,4,7,12-16H2,1H3,(H,27,32)(H,28,33)

InChI Key

YBYFITJDGMWPIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775112

YBYFITJDGMWPIT-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Biodiversity Library (27607 compounds)

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

CORONAVIRUS Library (20774 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators

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

Frequently Asked Questions

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