3544-1025 Screening compound: 1-(1,3-benzoxazol-2-ylsulfanyl)-4-(4-methylphenyl)phthalazine

3544-1025 Screening compound: 1-(1,3-benzoxazol-2-ylsulfanyl)-4-(4-methylphenyl)phthalazine
3544-1025 Screening compound: 1-(1,3-benzoxazol-2-ylsulfanyl)-4-(4-methylphenyl)phthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3544-1025
1-(1,3-benzoxazol-2-ylsulfanyl)-4-(4-methylphenyl)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

3544-1025

Molecular Formula

C22H15N3OS (C22 H15 N3 OS)

Compound Name

1-(1,3-benzoxazol-2-ylsulfanyl)-4-(4-methylphenyl)phthalazine

IUPAC name

1-(13-benzoxazol-2-ylsulfanyl)-4-(4-methylphenyl)phthalazine

SMILES

Cc(cc1)ccc1-c(c1ccccc11)nnc1Sc1nc(cccc2)c2o1

InChI

InChI=1S/C22H15N3OS/c1-14-10-12-15(13-11-14)20-16-6-2-3-7-17(16)21(25-24-20)27-22-23-18-8-4-5-9-19(18)26-22/h2-13H,1H3

InChI Key

NKYLZJFZGPCWSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01943323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.006

Distribution Coefficient, logD

6.006

Water Solubility, LogSw

-5.96

Polar Surface Area

38.732

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

3544-1025 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3544-1025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3544-1025?
Check Price and Availability of 3544-1025, 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 3544-1025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3544-1025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3544-1025
  • 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 3544-1025 available by request