3544-1068 Screening compound: 1-(4-chlorophenyl)-4-[(1-methyl-1H-1,3-benzodiazol-2-yl)methoxy]phthalazine

3544-1068 Screening compound: 1-(4-chlorophenyl)-4-[(1-methyl-1H-1,3-benzodiazol-2-yl)methoxy]phthalazine
3544-1068 Screening compound: 1-(4-chlorophenyl)-4-[(1-methyl-1H-1,3-benzodiazol-2-yl)methoxy]phthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3544-1068
1-(4-chlorophenyl)-4-[(1-methyl-1H-1,3-benzodiazol-2-yl)methoxy]phthalazine

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

3544-1068

Molecular Formula

C23H17ClN4O (C23 H17 ClN4 O)

Compound Name

1-(4-chlorophenyl)-4-[(1-methyl-1H-1,3-benzodiazol-2-yl)methoxy]phthalazine

IUPAC name

1-(4-chlorophenyl)-4-[(1-methyl-1H-13-benzodiazol-2-yl)methoxy]phthalazine

SMILES

Cn1c(cccc2)c2nc1COc1nnc(-c(cc2)ccc2Cl)c2ccccc12

InChI

InChI=1S/C23H17ClN4O/c1-28-20-9-5-4-8-19(20)25-21(28)14-29-23-18-7-3-2-6-17(18)22(26-27-23)15-10-12-16(24)13-11-15/h2-13H,14H2,1H3

InChI Key

CXSYPOATTFHAPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01946145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.998

Distribution Coefficient, logD

4.988

Water Solubility, LogSw

-5.27

Polar Surface Area

42.180

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

3544-1068 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Structure:
  • Pool
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3544-1068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3544-1068?
Check Price and Availability of 3544-1068, 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 3544-1068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3544-1068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3544-1068
  • 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 3544-1068 available by request