5350-0656 Screening compound: 5'-cyano-2'-methyl-6'-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-N-phenyl-1',4'-dihydro-[3,4'-bipyridine]-3'-carboxamide

5350-0656 Screening compound: 5'-cyano-2'-methyl-6'-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-N-phenyl-1',4'-dihydro-[3,4'-bipyridine]-3'-carboxamide
5350-0656 Screening compound: 5'-cyano-2'-methyl-6'-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-N-phenyl-1',4'-dihydro-[3,4'-bipyridine]-3'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5350-0656
5'-cyano-2'-methyl-6'-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-N-phenyl-1',4'-dihydro-[3,4'-bipyridine]-3'-carboxamide

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

5350-0656

Molecular Formula

C25H22N6O3S (C25 H22 N6 O3 S)

Compound Name

5'-cyano-2'-methyl-6'-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-N-phenyl-1',4'-dihydro-[3,4'-bipyridine]-3'-carboxamide

IUPAC name

5'-cyano-2'-methyl-6'-({[(5-methyl-12-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-N-phenyl-1'4'-dihydro-[34'-bipyridine]-3'-carboxamide

SMILES

Cc1cc(NC(CSC(NC(C)=C(C2c3cnccc3)C(Nc3ccccc3)=O)=C2C#N)=O)no1

InChI

InChI=1S/C25H22N6O3S/c1-15-11-20(31-34-15)30-21(32)14-35-25-19(12-26)23(17-7-6-10-27-13-17)22(16(2)28-25)24(33)29-18-8-4-3-5-9-18/h3-11,13,23,28H,14H2,1-2H3,(H,29,33)(H,30,31,32)/t23-/m0/s1

InChI Key

LSBGFNZQRGIQRZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03286916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.018

Distribution Coefficient, logD

2.398

Water Solubility, LogSw

-3.25

Polar Surface Area

104.384

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

5350-0656 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

C-Met Library (15277 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5350-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5350-0656?
Check Price and Availability of 5350-0656, 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 5350-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5350-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5350-0656
  • 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 5350-0656 available by request