5498-2573 Screening compound: 3-({4-[4-(2-propynyloxy)phenyl]-1-phthalazinyl}amino)phenol

5498-2573 Screening compound: 3-({4-[4-(2-propynyloxy)phenyl]-1-phthalazinyl}amino)phenol
5498-2573 Screening compound: 3-({4-[4-(2-propynyloxy)phenyl]-1-phthalazinyl}amino)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5498-2573
3-({4-[4-(2-propynyloxy)phenyl]-1-phthalazinyl}amino)phenol

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

5498-2573

Molecular Formula

C23H17N3O2 (C23 H17 N3 O2)

Compound Name

3-({4-[4-(2-propynyloxy)phenyl]-1-phthalazinyl}amino)phenol

IUPAC name

3-({4-[4-(prop-2-yn-1-yloxy)phenyl]phthalazin-1-yl}amino)phenol

SMILES

C#CCOc(cc1)ccc1-c(c1ccccc11)nnc1Nc1cc(O)ccc1

InChI

InChI=1S/C23H17N3O2/c1-2-14-28-19-12-10-16(11-13-19)22-20-8-3-4-9-21(20)23(26-25-22)24-17-6-5-7-18(27)15-17/h1,3-13,15,27H,14H2,(H,24,26)

InChI Key

SYNDZXUYFSNSEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03663525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.232

Distribution Coefficient, logD

4.228

Water Solubility, LogSw

-4.17

Polar Surface Area

56.796

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.35

5498-2573 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Akt-Targeted Library (14764 compounds)

Carbonic Anhydrase II Library (4939 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5498-2573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5498-2573?
Check Price and Availability of 5498-2573, 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 5498-2573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5498-2573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5498-2573
  • 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 5498-2573 available by request