5498-2561 Screening compound: N-phenyl-4-[4-(prop-2-yn-1-yloxy)phenyl]phthalazin-1-amine

5498-2561 Screening compound: N-phenyl-4-[4-(prop-2-yn-1-yloxy)phenyl]phthalazin-1-amine
5498-2561 Screening compound: N-phenyl-4-[4-(prop-2-yn-1-yloxy)phenyl]phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5498-2561
N-phenyl-4-[4-(prop-2-yn-1-yloxy)phenyl]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

5498-2561

Molecular Formula

C23H17N3O (C23 H17 N3 O)

Compound Name

N-phenyl-4-[4-(prop-2-yn-1-yloxy)phenyl]phthalazin-1-amine

IUPAC name

N-phenyl-4-[4-(prop-2-yn-1-yloxy)phenyl]phthalazin-1-amine

SMILES

C#CCOc(cc1)ccc1-c(c1ccccc11)nnc1Nc1ccccc1

InChI

InChI=1S/C23H17N3O/c1-2-16-27-19-14-12-17(13-15-19)22-20-10-6-7-11-21(20)23(26-25-22)24-18-8-4-3-5-9-18/h1,3-15H,16H2,(H,24,26)

InChI Key

KLLOEXZRKIIVQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03666598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.657

Distribution Coefficient, logD

4.657

Water Solubility, LogSw

-4.73

Polar Surface Area

39.179

Acid Dissociation Constant (pKa)

19.81

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

5498-2561 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5498-2561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5498-2561?
Check Price and Availability of 5498-2561, 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 5498-2561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5498-2561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5498-2561
  • 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 5498-2561 available by request