M212-0474 Screening compound: 1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-5-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydropyridin-2-one

M212-0474 Screening compound: 1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-5-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydropyridin-2-one
M212-0474 Screening compound: 1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-5-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1,2-dihydropyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M212-0474
1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-5-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-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

M212-0474

Molecular Formula

C20H13N5O3S (C20 H13 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C=C1)N(CC(N=C2N3C=CC=C2)=CC3=O)C=C1c1nc(-c2cccs2)no1

InChI

InChI=1S/C20H13N5O3S/c26-17-7-6-13(20-22-19(23-28-20)15-4-3-9-29-15)11-24(17)12-14-10-18(27)25-8-2-1-5-16(25)21-14/h1-11H,12H2

InChI Key

BUKAOXWHHIXBIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27534026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.42

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

1.757

Distribution Coefficient, logD

1.757

Water Solubility, LogSw

-2.28

Polar Surface Area

75.160

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

M212-0474 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M212-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M212-0474?
Check Price and Availability of M212-0474, 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 M212-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M212-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M212-0474
  • 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 M212-0474 available by request