4554-6360 Screening compound: 2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide

4554-6360 Screening compound: 2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
4554-6360 Screening compound: 2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-6360
2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide

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

4554-6360

Molecular Formula

C25H27N3O5S (C25 H27 N3 O5 S)

Compound Name

2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide

IUPAC name

2-{[3-cyano-6-oxo-4-(345-trimethoxyphenyl)-1456-tetrahydropyridin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide

SMILES

CCc(cccc1)c1NC(CSC(NC(CC1c(cc2OC)cc(OC)c2OC)=O)=C1C#N)=O

InChI

InChI=1S/C25H27N3O5S/c1-5-15-8-6-7-9-19(15)27-23(30)14-34-25-18(13-26)17(12-22(29)28-25)16-10-20(31-2)24(33-4)21(11-16)32-3/h6-11,17H,5,12,14H2,1-4H3,(H,27,30)(H,28,29)/t17-/m1/s1

InChI Key

LRZANGWVVXTLMS-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03723882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.169

Distribution Coefficient, logD

3.114

Water Solubility, LogSw

-3.38

Polar Surface Area

86.345

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-8.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

4554-6360 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 4554-6360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-6360?
Check Price and Availability of 4554-6360, 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 4554-6360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-6360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-6360
  • 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 4554-6360 available by request