3329-3773 Screening compound: methyl 2-{[3,5-dicyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

3329-3773 Screening compound: methyl 2-{[3,5-dicyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
3329-3773 Screening compound: methyl 2-{[3,5-dicyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3329-3773
methyl 2-{[3,5-dicyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

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

3329-3773

Molecular Formula

C17H15N3O3S (C17 H15 N3 O3 S)

Compound Name

methyl 2-{[3,5-dicyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

IUPAC name

methyl 2-{[35-dicyano-4-(2-methylphenyl)-6-oxo-1456-tetrahydropyridin-2-yl]sulfanyl}acetate

SMILES

Cc1c(C(C(C(N2)=O)C#N)C(C#N)=C2SCC(OC)=O)cccc1

InChI

InChI=1S/C17H15N3O3S/c1-10-5-3-4-6-11(10)15-12(7-18)16(22)20-17(13(15)8-19)24-9-14(21)23-2/h3-6,12,15H,9H2,1-2H3,(H,20,22)

InChI Key

XYPSWAAPWIMKHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03000872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.640

Distribution Coefficient, logD

1.584

Water Solubility, LogSw

-2.30

Polar Surface Area

78.879

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-6.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.40

3329-3773 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 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 3329-3773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3329-3773?
Check Price and Availability of 3329-3773, 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 3329-3773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3329-3773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3329-3773
  • 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 3329-3773 available by request