5498-2596 Screening compound: N-(4-chlorophenyl)-4-(4-ethoxyphenyl)phthalazin-1-amine

5498-2596 Screening compound: N-(4-chlorophenyl)-4-(4-ethoxyphenyl)phthalazin-1-amine
5498-2596 Screening compound: N-(4-chlorophenyl)-4-(4-ethoxyphenyl)phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5498-2596
N-(4-chlorophenyl)-4-(4-ethoxyphenyl)phthalazin-1-amine

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

5498-2596

Molecular Formula

C22H18ClN3O (C22 H18 ClN3 O)

Compound Name

N-(4-chlorophenyl)-4-(4-ethoxyphenyl)phthalazin-1-amine

IUPAC name

N-(4-chlorophenyl)-4-(4-ethoxyphenyl)phthalazin-1-amine

SMILES

CCOc(cc1)ccc1-c(c1ccccc11)nnc1Nc(cc1)ccc1Cl

InChI

InChI=1S/C22H18ClN3O/c1-2-27-18-13-7-15(8-14-18)21-19-5-3-4-6-20(19)22(26-25-21)24-17-11-9-16(23)10-12-17/h3-14H,2H2,1H3,(H,24,26)

InChI Key

SZFGQAKLVBGKMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03673460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.733

Distribution Coefficient, logD

5.733

Water Solubility, LogSw

-6.20

Polar Surface Area

38.884

Acid Dissociation Constant (pKa)

18.01

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 5498-2596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5498-2596?
Check Price and Availability of 5498-2596, 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 5498-2596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5498-2596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5498-2596
  • 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 5498-2596 available by request