P507-0046 Screening compound: methyl 3-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzoate

P507-0046 Screening compound: methyl 3-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzoate
P507-0046 Screening compound: methyl 3-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P507-0046
methyl 3-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzoate

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

P507-0046

Molecular Formula

C18H13N5O3 (C18 H13 N5 O3)

Compound Name

methyl 3-[3-(1-phenyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzoate

IUPAC name

methyl 3-[3-(1-phenyl-1H-123-triazol-4-yl)-124-oxadiazol-5-yl]benzoate

SMILES

COC(c1cc(-c2nc(-c3cn(-c4ccccc4)nn3)no2)ccc1)=O

InChI

InChI=1S/C18H13N5O3/c1-25-18(24)13-7-5-6-12(10-13)17-19-16(21-26-17)15-11-23(22-20-15)14-8-3-2-4-9-14/h2-11H,1H3

InChI Key

XJOFWXCCYGAZCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27577271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.470

Distribution Coefficient, logD

3.470

Water Solubility, LogSw

-3.66

Polar Surface Area

79.183

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

P507-0046 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P507-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P507-0046?
Check Price and Availability of P507-0046, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P507-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P507-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P507-0046
  • 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 P507-0046 available by request