5543-0009 Screening compound: 5-cyano-6-{[(diethylcarbamoyl)methyl]sulfanyl}-4-(2-fluorophenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

5543-0009 Screening compound: 5-cyano-6-{[(diethylcarbamoyl)methyl]sulfanyl}-4-(2-fluorophenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
5543-0009 Screening compound: 5-cyano-6-{[(diethylcarbamoyl)methyl]sulfanyl}-4-(2-fluorophenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5543-0009
5-cyano-6-{[(diethylcarbamoyl)methyl]sulfanyl}-4-(2-fluorophenyl)-2-methyl-N-phenyl-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

5543-0009

Molecular Formula

C26H27FN4O2S (C26 H27 FN4 O2 S)

Compound Name

5-cyano-6-{[(diethylcarbamoyl)methyl]sulfanyl}-4-(2-fluorophenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

IUPAC name

5-cyano-6-{[(diethylcarbamoyl)methyl]sulfanyl}-4-(2-fluorophenyl)-2-methyl-N-phenyl-14-dihydropyridine-3-carboxamide

SMILES

CCN(CC)C(CSC(NC(C)=C(C1c(cccc2)c2F)C(Nc2ccccc2)=O)=C1C#N)=O

InChI

InChI=1S/C26H27FN4O2S/c1-4-31(5-2)22(32)16-34-26-20(15-28)24(19-13-9-10-14-21(19)27)23(17(3)29-26)25(33)30-18-11-7-6-8-12-18/h6-14,24,29H,4-5,16H2,1-3H3,(H,30,33)/t24-/m0/s1

InChI Key

IPMCLEOGBRHDFJ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03981675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.172

Distribution Coefficient, logD

3.584

Water Solubility, LogSw

-4.02

Polar Surface Area

65.598

Acid Dissociation Constant (pKa)

6.94

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

5543-0009 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Nervous system
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5543-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5543-0009?
Check Price and Availability of 5543-0009, 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 5543-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5543-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5543-0009
  • 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 5543-0009 available by request