7197-3439 Screening compound: ethyl 4-{2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1,2-dihydropyridin-1-yl]acetamido}benzoate

7197-3439 Screening compound: ethyl 4-{2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1,2-dihydropyridin-1-yl]acetamido}benzoate
7197-3439 Screening compound: ethyl 4-{2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1,2-dihydropyridin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7197-3439
ethyl 4-{2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1,2-dihydropyridin-1-yl]acetamido}benzoate

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

7197-3439

Molecular Formula

C20H21N3O5 (C20 H21 N3 O5)

Compound Name

ethyl 4-{2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1,2-dihydropyridin-1-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-12-dihydropyridin-1-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(C(C)=CC(COC)=C1C#N)C1=O)=O)=O

InChI

InChI=1S/C20H21N3O5/c1-4-28-20(26)14-5-7-16(8-6-14)22-18(24)11-23-13(2)9-15(12-27-3)17(10-21)19(23)25/h5-9H,4,11-12H2,1-3H3,(H,22,24)

InChI Key

VTWZEOFTIDUXER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05801468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.311

Distribution Coefficient, logD

2.311

Water Solubility, LogSw

-2.77

Polar Surface Area

84.810

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

7197-3439 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 7197-3439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7197-3439?
Check Price and Availability of 7197-3439, 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 7197-3439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7197-3439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7197-3439
  • 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 7197-3439 available by request