5542-0116 Screening compound: 5-cyano-N-(2-methoxyphenyl)-6-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide

5542-0116 Screening compound: 5-cyano-N-(2-methoxyphenyl)-6-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide
5542-0116 Screening compound: 5-cyano-N-(2-methoxyphenyl)-6-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5542-0116
5-cyano-N-(2-methoxyphenyl)-6-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-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

5542-0116

Molecular Formula

C29H28N4O5S (C29 H28 N4 O5 S)

Compound Name

5-cyano-N-(2-methoxyphenyl)-6-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide

IUPAC name

5-cyano-N-(2-methoxyphenyl)-6-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-2-methyl-4-(5-methylfuran-2-yl)-14-dihydropyridine-3-carboxamide

SMILES

Cc1ccc(C(C(C(Nc(cccc2)c2OC)=O)=C(C)N2)C(C#N)=C2SCC(Nc2cc(OC)ccc2)=O)o1

InChI

InChI=1S/C29H28N4O5S/c1-17-12-13-24(38-17)27-21(15-30)29(39-16-25(34)32-19-8-7-9-20(14-19)36-3)31-18(2)26(27)28(35)33-22-10-5-6-11-23(22)37-4/h5-14,27,31H,16H2,1-4H3,(H,32,34)(H,33,35)/t27-/m1/s1

InChI Key

BNYSKLPQOXDONW-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD03668515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.744

Distribution Coefficient, logD

3.903

Water Solubility, LogSw

-4.54

Polar Surface Area

95.640

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

-3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

5542-0116 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5542-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5542-0116?
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What is the minimum amount of 5542-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5542-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5542-0116
  • 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 5542-0116 available by request