P032-1857 Screening compound: 7-methyl-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

P032-1857 Screening compound: 7-methyl-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
P032-1857 Screening compound: 7-methyl-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P032-1857
7-methyl-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-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

P032-1857

Molecular Formula

C19H18F3N5O2 (C19 H18 F3 N5 O2)

Compound Name

7-methyl-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

IUPAC name

7-methyl-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-2H3H-[124]triazolo[43-c]pyrimidin-3-one

SMILES

CC(N=C(c1ccc(C(F)(F)F)cc1)N12)=CC2=NN(CC(N2CCCC2)=O)C1=O

InChI

InChI=1S/C19H18F3N5O2/c1-12-10-15-24-26(11-16(28)25-8-2-3-9-25)18(29)27(15)17(23-12)13-4-6-14(7-5-13)19(20,21)22/h4-7,10H,2-3,8-9,11H2,1H3

InChI Key

RVRKRBNFLGYGKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.659

Distribution Coefficient, logD

2.532

Water Solubility, LogSw

-2.84

Polar Surface Area

58.482

Acid Dissociation Constant (pKa)

19.16

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

P032-1857 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P032-1857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P032-1857?
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What is the minimum amount of P032-1857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P032-1857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P032-1857
  • 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 P032-1857 available by request