2188-2041 Screening compound: 4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxamide

2188-2041 Screening compound: 4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxamide
2188-2041 Screening compound: 4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-2041
4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-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

2188-2041

Molecular Formula

C29H23Cl2N3O2S (C29 H23 Cl2 N3 O2 S)

Compound Name

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

IUPAC name

4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-14-dihydropyridine-3-carboxamide

SMILES

Cc(cc1)ccc1C(CSC(NC(C)=C(C1c(cccc2)c2Cl)C(Nc(cc2)ccc2Cl)=O)=C1C#N)=O

InChI

InChI=1S/C29H23Cl2N3O2S/c1-17-7-9-19(10-8-17)25(35)16-37-29-23(15-32)27(22-5-3-4-6-24(22)31)26(18(2)33-29)28(36)34-21-13-11-20(30)12-14-21/h3-14,27,33H,16H2,1-2H3,(H,34,36)/t27-/m1/s1

InChI Key

QKZAMZQQQAUSAU-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD01579058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.872

Distribution Coefficient, logD

6.389

Water Solubility, LogSw

-6.25

Polar Surface Area

63.169

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-5.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

2188-2041 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 2188-2041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-2041?
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What is the minimum amount of 2188-2041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-2041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-2041
  • 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 2188-2041 available by request