M426-0377 Screening compound: 3-{[2-OXO-6-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)-1,2-DIHYDROPYRIDIN-1-YL]METHYL}BENZONITRILE

M426-0377 Screening compound: 3-{[2-OXO-6-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)-1,2-DIHYDROPYRIDIN-1-YL]METHYL}BENZONITRILE
M426-0377 Screening compound: 3-{[2-OXO-6-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)-1,2-DIHYDROPYRIDIN-1-YL]METHYL}BENZONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound M426-0377
3-{[2-OXO-6-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)-1,2-DIHYDROPYRIDIN-1-YL]METHYL}BENZONITRILE

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

M426-0377

Molecular Formula

C21H14N4O2 (C21 H14 N4 O2)

Compound Name

3-{[2-OXO-6-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)-1,2-DIHYDROPYRIDIN-1-YL]METHYL}BENZONITRILE

IUPAC name

n/a

SMILES

N#Cc1cccc(CN2C(c3nc(-c4ccccc4)no3)=CC=CC2=O)c1

InChI

InChI=1S/C21H14N4O2/c22-13-15-6-4-7-16(12-15)14-25-18(10-5-11-19(25)26)21-23-20(24-27-21)17-8-2-1-3-9-17/h1-12H,14H2

InChI Key

ACODLSVRYKXZPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.37

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

3.846

Distribution Coefficient, logD

3.846

Water Solubility, LogSw

-4.22

Polar Surface Area

64.576

Acid Dissociation Constant (pKa)

29.56

Base Dissociation Constant (pKb)

-6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

M426-0377 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 M426-0377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M426-0377?
Check Price and Availability of M426-0377, 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 M426-0377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M426-0377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M426-0377
  • 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 M426-0377 available by request