P712-0387 Screening compound: 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-[(furan-2-yl)methyl]acetamide

P712-0387 Screening compound: 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-[(furan-2-yl)methyl]acetamide
P712-0387 Screening compound: 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P712-0387
2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-[(furan-2-yl)methyl]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

P712-0387

Molecular Formula

C18H16N6O3 (C18 H16 N6 O3)

Compound Name

2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-[8-(3-cyclopropyl-124-oxadiazol-5-yl)-[124]triazolo[43-a]pyridin-3-yl]-N-[(furan-2-yl)methyl]acetamide

SMILES

O=C(Cc1nnc2n1cccc2-c1nc(C2CC2)no1)NCc1ccco1

InChI

InChI=1S/C18H16N6O3/c25-15(19-10-12-3-2-8-26-12)9-14-21-22-17-13(4-1-7-24(14)17)18-20-16(23-27-18)11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,19,25)

InChI Key

QQHSMJMYIHYTLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27613622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.36

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

1.562

Distribution Coefficient, logD

1.562

Water Solubility, LogSw

-2.14

Polar Surface Area

87.249

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

P712-0387 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P712-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P712-0387?
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What is the minimum amount of P712-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P712-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P712-0387
  • 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 P712-0387 available by request