Screening compound: MFCD31998800

Screening compound: MFCD31998800
Screening compound: MFCD31998800 alternative view

Chemical Structure Depiction of ChemDiv screening compound
MFCD31998800

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

T501-1430

Molecular Formula

C27H31N5O3 (C27 H31 N5 O3)

Compound Name

6-methyl-4-(4-oxo-4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-methyl-4-(4-oxo-4-{3-[(4-phenyl-4H-124-triazol-3-yl)methyl]piperidin-1-yl}butyl)-34-dihydro-2H-14-benzoxazin-3-one

SMILES

Cc(cc1)cc(N2CCCC(N3CC(Cc4nncn4-c4ccccc4)CCC3)=O)c1OCC2=O

InChI

InChI=1S/C27H31N5O3/c1-20-11-12-24-23(15-20)31(27(34)18-35-24)14-6-10-26(33)30-13-5-7-21(17-30)16-25-29-28-19-32(25)22-8-3-2-4-9-22/h2-4,8-9,11-12,15,19,21H,5-7,10,13-14,16-18H2,1H3/t21-/m1/s1

InChI Key

KKNOMGPTAQKZHG-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD31998800

MFCD31998800 in Drug Discovery

Included in Screening Libraries

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

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system

References: we are preparing a list of scientific research reports with MFCD31998800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound MFCD31998800?
Check Price and Availability of MFCD31998800, 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 MFCD31998800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for MFCD31998800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for MFCD31998800
  • 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 MFCD31998800 available by request