2188-1746 Screening compound: 6-[(2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide

2188-1746 Screening compound: 6-[(2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
2188-1746 Screening compound: 6-[(2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-1746
6-[(2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-N-(2-methylphenyl)-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

2188-1746

Molecular Formula

C33H27N3O2S2 (C33 H27 N3 O2 S2)

Compound Name

6-[(2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide

IUPAC name

6-[(2-{[11'-biphenyl]-4-yl}-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-14-dihydropyridine-3-carboxamide

SMILES

Cc(cccc1)c1NC(C(C1c2cccs2)=C(C)NC(SCC(c(cc2)ccc2-c2ccccc2)=O)=C1C#N)=O

InChI

InChI=1S/C33H27N3O2S2/c1-21-9-6-7-12-27(21)36-32(38)30-22(2)35-33(26(19-34)31(30)29-13-8-18-39-29)40-20-28(37)25-16-14-24(15-17-25)23-10-4-3-5-11-23/h3-18,31,35H,20H2,1-2H3,(H,36,38)/t31-/m0/s1

InChI Key

WRKNLUDFHCWWSP-HKBQPEDESA-N

MDL Number (MFCD)

MFCD01306790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

561.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.460

Distribution Coefficient, logD

5.741

Water Solubility, LogSw

-5.92

Polar Surface Area

63.218

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

-5.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.10

2188-1746 in Drug Discovery

Included in Screening Libraries

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

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 2188-1746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-1746?
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What is the minimum amount of 2188-1746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-1746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-1746
  • 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 2188-1746 available by request