P939-3180 Screening compound: 1-[4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidino]-2-(2-fluorophenyl)-1-ethanone

P939-3180 Screening compound: 1-[4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidino]-2-(2-fluorophenyl)-1-ethanone
P939-3180 Screening compound: 1-[4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidino]-2-(2-fluorophenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P939-3180
1-[4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidino]-2-(2-fluorophenyl)-1-ethanone

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

P939-3180

Molecular Formula

C18H21FN4O (C18 H21 FN4 O)

Compound Name

1-[4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidino]-2-(2-fluorophenyl)-1-ethanone

IUPAC name

1-[4-(3-cyclopropyl-4H-124-triazol-4-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethan-1-one

SMILES

O=C(Cc(cccc1)c1F)N(CC1)CCC1n1c(C2CC2)nnc1

InChI

InChI=1S/C18H21FN4O/c19-16-4-2-1-3-14(16)11-17(24)22-9-7-15(8-10-22)23-12-20-21-18(23)13-5-6-13/h1-4,12-13,15H,5-11H2

InChI Key

SMHSEWNFXSTPSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29000962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.459

Distribution Coefficient, logD

2.442

Water Solubility, LogSw

-2.30

Polar Surface Area

41.067

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P939-3180 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P939-3180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P939-3180?
Check Price and Availability of P939-3180, 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 P939-3180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P939-3180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P939-3180
  • 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 P939-3180 available by request