Screening compound: PMDNBJXNLUNZKW-UHFFFAOYSA-N

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

Chemical Structure Depiction of ChemDiv screening compound
PMDNBJXNLUNZKW-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

S636-0578

Molecular Formula

C13H16N4O2S (C13 H16 N4 O2 S)

Compound Name

2-methyl-7-[2-(thiophen-2-yl)acetyl]-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one

IUPAC name

2-methyl-7-[2-(thiophen-2-yl)acetyl]-2H3H5H6H7H8H9H-[124]triazolo[43-d][14]diazepin-3-one

SMILES

CN1N=C(CCN(CC2)C(Cc3cccs3)=O)N2C1=O

InChI

InChI=1S/C13H16N4O2S/c1-15-13(19)17-7-6-16(5-4-11(17)14-15)12(18)9-10-3-2-8-20-10/h2-3,8H,4-7,9H2,1H3

InChI Key

PMDNBJXNLUNZKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30463097

PMDNBJXNLUNZKW-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

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

Frequently Asked Questions

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