8010-0164 Screening compound: 5-cyano-6-{[(4-fluorophenyl)methyl]sulfanyl}-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide

8010-0164 Screening compound: 5-cyano-6-{[(4-fluorophenyl)methyl]sulfanyl}-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
8010-0164 Screening compound: 5-cyano-6-{[(4-fluorophenyl)methyl]sulfanyl}-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0164
5-cyano-6-{[(4-fluorophenyl)methyl]sulfanyl}-2-methyl-N-phenyl-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

8010-0164

Molecular Formula

C25H20FN3OS2 (C25 H20 FN3 OS2)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(SCc(cc1)ccc1F)=C(C1c2cccs2)C#N)=C1C(Nc1ccccc1)=O

InChI

InChI=1S/C25H20FN3OS2/c1-16-22(24(30)29-19-6-3-2-4-7-19)23(21-8-5-13-31-21)20(14-27)25(28-16)32-15-17-9-11-18(26)12-10-17/h2-13,23,28H,15H2,1H3,(H,29,30)/t23-/m0/s1

InChI Key

FPGSMHBIPBSDPR-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01243115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.782

Distribution Coefficient, logD

4.125

Water Solubility, LogSw

-4.48

Polar Surface Area

50.940

Acid Dissociation Constant (pKa)

6.85

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

8010-0164 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 8010-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0164?
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What is the minimum amount of 8010-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0164
  • 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 8010-0164 available by request