M212-0406 Screening compound: 5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1,2-dihydropyridin-2-one

M212-0406 Screening compound: 5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1,2-dihydropyridin-2-one
M212-0406 Screening compound: 5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1,2-dihydropyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M212-0406
5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1,2-dihydropyridin-2-one

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

M212-0406

Molecular Formula

C22H14BrN5O3 (C22 H14 BrN5 O3)

Compound Name

5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1,2-dihydropyridin-2-one

IUPAC name

5-[3-(4-bromophenyl)-124-oxadiazol-5-yl]-1-({4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)-12-dihydropyridin-2-one

SMILES

O=C(C=C1)N(CC(N=C2N3C=CC=C2)=CC3=O)C=C1c1nc(-c(cc2)ccc2Br)no1

InChI

InChI=1S/C22H14BrN5O3/c23-16-7-4-14(5-8-16)21-25-22(31-26-21)15-6-9-19(29)27(12-15)13-17-11-20(30)28-10-2-1-3-18(28)24-17/h1-12H,13H2

InChI Key

FBTAUPGQJHQKFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27534024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.929

Distribution Coefficient, logD

2.929

Water Solubility, LogSw

-3.15

Polar Surface Area

74.142

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

M212-0406 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M212-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M212-0406?
Check Price and Availability of M212-0406, 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 M212-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M212-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M212-0406
  • 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 M212-0406 available by request