Screening compound: XXJMZUWTIJTVJH-UHFFFAOYSA-N

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

Chemical Structure Depiction of ChemDiv screening compound
XXJMZUWTIJTVJH-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

G856-0929

Molecular Formula

C26H28N4O2S (C26 H28 N4 O2 S)

Compound Name

2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(35-dimethylphenyl)-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

Cc1cc(N(C2=O)C(SCC(N3CCCCCC3)=O)=Nc3c2[nH]c2c3cccc2)cc(C)c1

InChI

InChI=1S/C26H28N4O2S/c1-17-13-18(2)15-19(14-17)30-25(32)24-23(20-9-5-6-10-21(20)27-24)28-26(30)33-16-22(31)29-11-7-3-4-8-12-29/h5-6,9-10,13-15,27H,3-4,7-8,11-12,16H2,1-2H3

InChI Key

XXJMZUWTIJTVJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458282

XXJMZUWTIJTVJH-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cysteine Proteases Inhibitors Library (7839 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

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

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

Frequently Asked Questions

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