P708-0887 Screening compound: 1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide

P708-0887 Screening compound: 1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide
P708-0887 Screening compound: 1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P708-0887
1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide

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

P708-0887

Molecular Formula

C23H21FN6O2 (C23 H21 FN6 O2)

Compound Name

1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide

IUPAC name

1-[4-(3-cyclopropyl-124-oxadiazol-5-yl)pyridin-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide

SMILES

CC(c(cc1)ccc1F)NC(c1c(C)n(-c2nccc(-c3nc(C4CC4)no3)c2)nc1)=O

InChI

InChI=1S/C23H21FN6O2/c1-13(15-5-7-18(24)8-6-15)27-22(31)19-12-26-30(14(19)2)20-11-17(9-10-25-20)23-28-21(29-32-23)16-3-4-16/h5-13,16H,3-4H2,1-2H3,(H,27,31)/t13-/m0/s1

InChI Key

XCEJRSARFMNMGA-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27613282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.391

Distribution Coefficient, logD

4.391

Water Solubility, LogSw

-4.20

Polar Surface Area

78.320

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

P708-0887 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P708-0887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P708-0887?
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What is the minimum amount of P708-0887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P708-0887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P708-0887
  • 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 P708-0887 available by request