8019-5274 Screening compound: methyl 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-{[(pyridin-3-yl)methyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate

8019-5274 Screening compound: methyl 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-{[(pyridin-3-yl)methyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
8019-5274 Screening compound: methyl 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-{[(pyridin-3-yl)methyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5274
methyl 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-{[(pyridin-3-yl)methyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate

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

8019-5274

Molecular Formula

C23H23N3O4S (C23 H23 N3 O4 S)

Compound Name

methyl 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-{[(pyridin-3-yl)methyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate

IUPAC name

methyl 5-cyano-4-(34-dimethoxyphenyl)-2-methyl-6-{[(pyridin-3-yl)methyl]sulfanyl}-14-dihydropyridine-3-carboxylate

SMILES

CC(NC(SCc1cnccc1)=C(C1c(cc2)cc(OC)c2OC)C#N)=C1C(OC)=O

InChI

InChI=1S/C23H23N3O4S/c1-14-20(23(27)30-4)21(16-7-8-18(28-2)19(10-16)29-3)17(11-24)22(26-14)31-13-15-6-5-9-25-12-15/h5-10,12,21,26H,13H2,1-4H3/t21-/m0/s1

InChI Key

HTSOHOWYTNAQPP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD08560280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.827

Distribution Coefficient, logD

0.200

Water Solubility, LogSw

-3.09

Polar Surface Area

72.783

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

8019-5274 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

CNS Targets (44014 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8019-5274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5274?
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What is the minimum amount of 8019-5274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5274
  • 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 8019-5274 available by request