P940-4577 Screening compound: 3-[1-(2,5-difluorobenzoyl)piperidin-3-yl]-1-methyl-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one

P940-4577 Screening compound: 3-[1-(2,5-difluorobenzoyl)piperidin-3-yl]-1-methyl-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one
P940-4577 Screening compound: 3-[1-(2,5-difluorobenzoyl)piperidin-3-yl]-1-methyl-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P940-4577
3-[1-(2,5-difluorobenzoyl)piperidin-3-yl]-1-methyl-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one

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

P940-4577

Molecular Formula

C21H20F2N4O2 (C21 H20 F2 N4 O2)

Compound Name

3-[1-(2,5-difluorobenzoyl)piperidin-3-yl]-1-methyl-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one

IUPAC name

3-[1-(25-difluorobenzoyl)piperidin-3-yl]-1-methyl-4-phenyl-45-dihydro-1H-124-triazol-5-one

SMILES

CN(C1=O)N=C(C(CCC2)CN2C(c(cc(cc2)F)c2F)=O)N1c1ccccc1

InChI

InChI=1S/C21H20F2N4O2/c1-25-21(29)27(16-7-3-2-4-8-16)19(24-25)14-6-5-11-26(13-14)20(28)17-12-15(22)9-10-18(17)23/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1

InChI Key

GPGUIDSRQIDTTB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD31959726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.223

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.55

Polar Surface Area

48.067

Acid Dissociation Constant (pKa)

20.36

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

P940-4577 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with P940-4577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P940-4577?
Check Price and Availability of P940-4577, 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 P940-4577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P940-4577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P940-4577
  • 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 P940-4577 available by request