8019-5275 Screening compound: methyl 5-cyano-2-methyl-6-{[(pyridin-3-yl)methyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate

8019-5275 Screening compound: methyl 5-cyano-2-methyl-6-{[(pyridin-3-yl)methyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
8019-5275 Screening compound: methyl 5-cyano-2-methyl-6-{[(pyridin-3-yl)methyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5275
methyl 5-cyano-2-methyl-6-{[(pyridin-3-yl)methyl]sulfanyl}-4-(thiophen-2-yl)-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

8019-5275

Molecular Formula

C19H17N3O2S2 (C19 H17 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(SCc1cnccc1)=C(C1c2cccs2)C#N)=C1C(OC)=O

InChI

InChI=1S/C19H17N3O2S2/c1-12-16(19(23)24-2)17(15-6-4-8-25-15)14(9-20)18(22-12)26-11-13-5-3-7-21-10-13/h3-8,10,17,22H,11H2,1-2H3/t17-/m0/s1

InChI Key

YHGSNLBWZAHKLS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD08560291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

0.098

Water Solubility, LogSw

-2.99

Polar Surface Area

58.540

Acid Dissociation Constant (pKa)

4.46

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

8019-5275 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8019-5275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5275?
Check Price and Availability of 8019-5275, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8019-5275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5275
  • 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 8019-5275 available by request