Screening compound: MFCD31958189

Screening compound: MFCD31958189
Screening compound: MFCD31958189 alternative view

Chemical Structure Depiction of ChemDiv screening compound
MFCD31958189

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

S906-0442

Molecular Formula

C21H21F2N5O2 (C21 H21 F2 N5 O2)

Compound Name

N-[(2,5-difluorophenyl)methyl]-3-oxo-2-[(pyridin-4-yl)methyl]-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide

IUPAC name

N-[(25-difluorophenyl)methyl]-3-oxo-2-[(pyridin-4-yl)methyl]-2H3H5H6H7H8H9H-[124]triazolo[43-a]azepine-7-carboxamide

SMILES

O=C(C(CCC1=NN2Cc3ccncc3)CCN1C2=O)NCc(cc(cc1)F)c1F

InChI

InChI=1S/C21H21F2N5O2/c22-17-2-3-18(23)16(11-17)12-25-20(29)15-1-4-19-26-28(21(30)27(19)10-7-15)13-14-5-8-24-9-6-14/h2-3,5-6,8-9,11,15H,1,4,7,10,12-13H2,(H,25,29)/t15-/m0/s1

InChI Key

TYRWCNZCNSDRFT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31958189

MFCD31958189 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with MFCD31958189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound MFCD31958189?
Check Price and Availability of MFCD31958189, 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 MFCD31958189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for MFCD31958189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for MFCD31958189
  • 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 MFCD31958189 available by request