P708-1449 Screening compound: N-(2-methoxyphenyl)-5-methyl-1-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1H-pyrazole-4-carboxamide

P708-1449 Screening compound: N-(2-methoxyphenyl)-5-methyl-1-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1H-pyrazole-4-carboxamide
P708-1449 Screening compound: N-(2-methoxyphenyl)-5-methyl-1-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P708-1449
N-(2-methoxyphenyl)-5-methyl-1-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-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

P708-1449

Molecular Formula

C22H22N6O3 (C22 H22 N6 O3)

Compound Name

N-(2-methoxyphenyl)-5-methyl-1-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1H-pyrazole-4-carboxamide

IUPAC name

N-(2-methoxyphenyl)-5-methyl-1-{4-[3-(propan-2-yl)-124-oxadiazol-5-yl]pyridin-2-yl}-1H-pyrazole-4-carboxamide

SMILES

CC(C)c1noc(-c2cc(-n3ncc(C(Nc(cccc4)c4OC)=O)c3C)ncc2)n1

InChI

InChI=1S/C22H22N6O3/c1-13(2)20-26-22(31-27-20)15-9-10-23-19(11-15)28-14(3)16(12-24-28)21(29)25-17-7-5-6-8-18(17)30-4/h5-13H,1-4H3,(H,25,29)

InChI Key

KXSWMBPEPNWXIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27613320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.235

Distribution Coefficient, logD

4.234

Water Solubility, LogSw

-4.26

Polar Surface Area

84.516

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

P708-1449 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 P708-1449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P708-1449?
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What is the minimum amount of P708-1449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P708-1449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P708-1449
  • 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 P708-1449 available by request