P507-1801 Screening compound: 3-(1-benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-5-methyl-1,2,4-oxadiazole

P507-1801 Screening compound: 3-(1-benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-5-methyl-1,2,4-oxadiazole
P507-1801 Screening compound: 3-(1-benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-5-methyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P507-1801
3-(1-benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-5-methyl-1,2,4-oxadiazole

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

P507-1801

Molecular Formula

C13H13N5O (C13 H13 N5 O)

Compound Name

3-(1-benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-5-methyl-1,2,4-oxadiazole

IUPAC name

3-(1-benzyl-5-methyl-1H-123-triazol-4-yl)-5-methyl-124-oxadiazole

SMILES

Cc1c(-c2noc(C)n2)nnn1Cc1ccccc1

InChI

InChI=1S/C13H13N5O/c1-9-12(13-14-10(2)19-16-13)15-17-18(9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3

InChI Key

MQASGWSUPGFODS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27577501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.772

Distribution Coefficient, logD

1.772

Water Solubility, LogSw

-1.80

Polar Surface Area

57.851

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

P507-1801 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with P507-1801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P507-1801?
Check Price and Availability of P507-1801, 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 P507-1801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P507-1801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P507-1801
  • 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 P507-1801 available by request