3448-4306 Screening compound: ethyl 6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate

3448-4306 Screening compound: ethyl 6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
3448-4306 Screening compound: ethyl 6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-4306
ethyl 6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-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

3448-4306

Molecular Formula

C25H24BrN3O5S (C25 H24 BrN3 O5 S)

Compound Name

ethyl 6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate

IUPAC name

ethyl 6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1234-tetrahydropyridine-3-carboxylate

SMILES

CCOC(C(C(c(cccc1)c1OCC)C(C#N)=C(N1)SCC(Nc(cc2)ccc2Br)=O)C1=O)=O

InChI

InChI=1S/C25H24BrN3O5S/c1-3-33-19-8-6-5-7-17(19)21-18(13-27)24(29-23(31)22(21)25(32)34-4-2)35-14-20(30)28-16-11-9-15(26)10-12-16/h5-12,21-22H,3-4,14H2,1-2H3,(H,28,30)(H,29,31)

InChI Key

TVHJFZGDVARJJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02240901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.595

Distribution Coefficient, logD

4.464

Water Solubility, LogSw

-4.29

Polar Surface Area

92.086

Acid Dissociation Constant (pKa)

7.85

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.00

3448-4306 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3448-4306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-4306?
Check Price and Availability of 3448-4306, 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 3448-4306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-4306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-4306
  • 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 3448-4306 available by request