8010-9985 Screening compound: 5-cyano-6-({[(3,4-dichlorophenyl)carbamoyl]methyl}sulfanyl)-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide

8010-9985 Screening compound: 5-cyano-6-({[(3,4-dichlorophenyl)carbamoyl]methyl}sulfanyl)-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
8010-9985 Screening compound: 5-cyano-6-({[(3,4-dichlorophenyl)carbamoyl]methyl}sulfanyl)-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-9985
5-cyano-6-({[(3,4-dichlorophenyl)carbamoyl]methyl}sulfanyl)-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

8010-9985

Molecular Formula

C27H22Cl2N4O2S2 (C27 H22 Cl2 N4 O2 S2)

Compound Name

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

IUPAC name

5-cyano-6-({[(34-dichlorophenyl)carbamoyl]methyl}sulfanyl)-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-14-dihydropyridine-3-carboxamide

SMILES

Cc(cccc1)c1NC(C(C1c2cccs2)=C(C)NC(SCC(Nc(cc2)cc(Cl)c2Cl)=O)=C1C#N)=O

InChI

InChI=1S/C27H22Cl2N4O2S2/c1-15-6-3-4-7-21(15)33-26(35)24-16(2)31-27(18(13-30)25(24)22-8-5-11-36-22)37-14-23(34)32-17-9-10-19(28)20(29)12-17/h3-12,25,31H,14H2,1-2H3,(H,32,34)(H,33,35)/t25-/m1/s1

InChI Key

YYAKWLWFCSRHHT-RUZDIDTESA-N

MDL Number (MFCD)

MFCD02237124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.088

Distribution Coefficient, logD

5.247

Water Solubility, LogSw

-6.10

Polar Surface Area

73.392

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

-5.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

8010-9985 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 8010-9985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9985?
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What is the minimum amount of 8010-9985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9985
  • 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 8010-9985 available by request