5498-2609 Screening compound: 1-(4-ethoxyphenyl)-4-(ethylsulfanyl)phthalazine

5498-2609 Screening compound: 1-(4-ethoxyphenyl)-4-(ethylsulfanyl)phthalazine
5498-2609 Screening compound: 1-(4-ethoxyphenyl)-4-(ethylsulfanyl)phthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5498-2609
1-(4-ethoxyphenyl)-4-(ethylsulfanyl)phthalazine

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

5498-2609

Molecular Formula

C18H18N2OS (C18 H18 N2 OS)

Compound Name

1-(4-ethoxyphenyl)-4-(ethylsulfanyl)phthalazine

IUPAC name

1-(4-ethoxyphenyl)-4-(ethylsulfanyl)phthalazine

SMILES

CCOc(cc1)ccc1-c(c1ccccc11)nnc1SCC

InChI

InChI=1S/C18H18N2OS/c1-3-21-14-11-9-13(10-12-14)17-15-7-5-6-8-16(15)18(20-19-17)22-4-2/h5-12H,3-4H2,1-2H3

InChI Key

LTLXHWCNPABERC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03675649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.645

Distribution Coefficient, logD

4.645

Water Solubility, LogSw

-4.27

Polar Surface Area

29.464

Acid Dissociation Constant (pKa)

26.50

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

5498-2609 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5498-2609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5498-2609?
Check Price and Availability of 5498-2609, 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 5498-2609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5498-2609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5498-2609
  • 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 5498-2609 available by request