M212-0398 Screening compound: 5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydropyridin-2-one

M212-0398 Screening compound: 5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydropyridin-2-one
M212-0398 Screening compound: 5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydropyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M212-0398
5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluoro-4-methoxyphenyl)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

M212-0398

Molecular Formula

C21H15BrFN3O3 (C21 H15 BrFN3 O3)

Compound Name

5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydropyridin-2-one

IUPAC name

5-[3-(4-bromophenyl)-124-oxadiazol-5-yl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-12-dihydropyridin-2-one

SMILES

COc(ccc(CN(C=C(C=C1)c2nc(-c(cc3)ccc3Br)no2)C1=O)c1)c1F

InChI

InChI=1S/C21H15BrFN3O3/c1-28-18-8-2-13(10-17(18)23)11-26-12-15(5-9-19(26)27)21-24-20(25-29-21)14-3-6-16(22)7-4-14/h2-10,12H,11H2,1H3

InChI Key

TZIIGTGHVSHOPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27534022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.307

Distribution Coefficient, logD

4.307

Water Solubility, LogSw

-4.56

Polar Surface Area

55.786

Acid Dissociation Constant (pKa)

29.36

Base Dissociation Constant (pKb)

-4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

M212-0398 in Drug Discovery

Included in Screening Libraries

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 M212-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M212-0398?
Check Price and Availability of M212-0398, 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 M212-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M212-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M212-0398
  • 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 M212-0398 available by request