4903-2218 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine

4903-2218 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine
4903-2218 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4903-2218
N-(2H-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)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

4903-2218

Molecular Formula

C22H17N3O2 (C22 H17 N3 O2)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine

IUPAC name

N-(2H-13-benzodioxol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine

SMILES

Cc(cc1)ccc1-c(c1ccccc11)nnc1Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H17N3O2/c1-14-6-8-15(9-7-14)21-17-4-2-3-5-18(17)22(25-24-21)23-16-10-11-19-20(12-16)27-13-26-19/h2-12H,13H2,1H3,(H,23,25)

InChI Key

NEBGTEKZYWRZQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03303128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.026

Distribution Coefficient, logD

5.025

Water Solubility, LogSw

-4.92

Polar Surface Area

48.876

Acid Dissociation Constant (pKa)

18.51

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4903-2218 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4903-2218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4903-2218?
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What is the minimum amount of 4903-2218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4903-2218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4903-2218
  • 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 4903-2218 available by request