7287-0261 Screening compound: N-(4-methoxyphenyl)-2-(phthalazin-1-ylsulfanyl)acetamide

7287-0261 Screening compound: N-(4-methoxyphenyl)-2-(phthalazin-1-ylsulfanyl)acetamide
7287-0261 Screening compound: N-(4-methoxyphenyl)-2-(phthalazin-1-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7287-0261
N-(4-methoxyphenyl)-2-(phthalazin-1-ylsulfanyl)acetamide

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

7287-0261

Molecular Formula

C17H15N3O2S (C17 H15 N3 O2 S)

Compound Name

N-(4-methoxyphenyl)-2-(phthalazin-1-ylsulfanyl)acetamide

IUPAC name

N-(4-methoxyphenyl)-2-(phthalazin-1-ylsulfanyl)acetamide

SMILES

COc(cc1)ccc1NC(CSc1nncc2ccccc12)=O

InChI

InChI=1S/C17H15N3O2S/c1-22-14-8-6-13(7-9-14)19-16(21)11-23-17-15-5-3-2-4-12(15)10-18-20-17/h2-10H,11H2,1H3,(H,19,21)

InChI Key

KGWGLCOFQYSYJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01170876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.042

Distribution Coefficient, logD

3.042

Water Solubility, LogSw

-3.39

Polar Surface Area

53.193

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

7287-0261 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7287-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7287-0261?
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What is the minimum amount of 7287-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7287-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7287-0261
  • 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 7287-0261 available by request