P032-1852 Screening compound: N,N-diethyl-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

P032-1852 Screening compound: N,N-diethyl-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
P032-1852 Screening compound: N,N-diethyl-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P032-1852
N,N-diethyl-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

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

P032-1852

Molecular Formula

C19H20F3N5O2 (C19 H20 F3 N5 O2)

Compound Name

N,N-diethyl-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

IUPAC name

n/a

SMILES

CCN(CC)C(CN(C1=O)N=C2N1C(c1ccc(C(F)(F)F)cc1)=NC(C)=C2)=O

InChI

InChI=1S/C19H20F3N5O2/c1-4-25(5-2)16(28)11-26-18(29)27-15(24-26)10-12(3)23-17(27)13-6-8-14(9-7-13)19(20,21)22/h6-10H,4-5,11H2,1-3H3

InChI Key

MNKSXULSDCXJIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18787210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.758

Distribution Coefficient, logD

2.632

Water Solubility, LogSw

-2.82

Polar Surface Area

57.400

Acid Dissociation Constant (pKa)

19.16

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

P032-1852 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P032-1852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P032-1852?
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What is the minimum amount of P032-1852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P032-1852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P032-1852
  • 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 P032-1852 available by request