2188-0696 Screening compound: 5-cyano-6-(ethylsulfanyl)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide

2188-0696 Screening compound: 5-cyano-6-(ethylsulfanyl)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
2188-0696 Screening compound: 5-cyano-6-(ethylsulfanyl)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-0696
5-cyano-6-(ethylsulfanyl)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-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

2188-0696

Molecular Formula

C21H21N3O2S2 (C21 H21 N3 O2 S2)

Compound Name

5-cyano-6-(ethylsulfanyl)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide

IUPAC name

5-cyano-6-(ethylsulfanyl)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-14-dihydropyridine-3-carboxamide

SMILES

CCSC(NC(C)=C(C1c2cccs2)C(Nc(cccc2)c2OC)=O)=C1C#N

InChI

InChI=1S/C21H21N3O2S2/c1-4-27-21-14(12-22)19(17-10-7-11-28-17)18(13(2)23-21)20(25)24-15-8-5-6-9-16(15)26-3/h5-11,19,23H,4H2,1-3H3,(H,24,25)/t19-/m0/s1

InChI Key

JLDOSIKUPJLQEA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00349132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.133

Distribution Coefficient, logD

3.279

Water Solubility, LogSw

-4.20

Polar Surface Area

58.144

Acid Dissociation Constant (pKa)

6.61

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

2188-0696 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2188-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-0696?
Check Price and Availability of 2188-0696, 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 2188-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-0696
  • 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 2188-0696 available by request