3544-1239 Screening compound: 4-(4-methoxyphenyl)-N-[1-(2-methoxyphenyl)-1H-1,3-benzodiazol-5-yl]phthalazin-1-amine

3544-1239 Screening compound: 4-(4-methoxyphenyl)-N-[1-(2-methoxyphenyl)-1H-1,3-benzodiazol-5-yl]phthalazin-1-amine
3544-1239 Screening compound: 4-(4-methoxyphenyl)-N-[1-(2-methoxyphenyl)-1H-1,3-benzodiazol-5-yl]phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3544-1239
4-(4-methoxyphenyl)-N-[1-(2-methoxyphenyl)-1H-1,3-benzodiazol-5-yl]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

3544-1239

Molecular Formula

C29H23N5O2 (C29 H23 N5 O2)

Compound Name

4-(4-methoxyphenyl)-N-[1-(2-methoxyphenyl)-1H-1,3-benzodiazol-5-yl]phthalazin-1-amine

IUPAC name

4-(4-methoxyphenyl)-N-[1-(2-methoxyphenyl)-1H-13-benzodiazol-5-yl]phthalazin-1-amine

SMILES

COc(cc1)ccc1-c(c1ccccc11)nnc1Nc(cc1)cc(nc2)c1n2-c(cccc1)c1OC

InChI

InChI=1S/C29H23N5O2/c1-35-21-14-11-19(12-15-21)28-22-7-3-4-8-23(22)29(33-32-28)31-20-13-16-25-24(17-20)30-18-34(25)26-9-5-6-10-27(26)36-2/h3-18H,1-2H3,(H,31,33)

InChI Key

HPLGCZDMIZBOPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02162909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.592

Distribution Coefficient, logD

3.942

Water Solubility, LogSw

-5.87

Polar Surface Area

57.278

Acid Dissociation Constant (pKa)

18.69

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

3544-1239 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3544-1239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3544-1239?
Check Price and Availability of 3544-1239, 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 3544-1239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3544-1239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3544-1239
  • 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 3544-1239 available by request