3281-0997 Screening compound: propyl 4-(4-oxo-3,4-dihydro-1-phthalazinyl)benzoate

3281-0997 Screening compound: propyl 4-(4-oxo-3,4-dihydro-1-phthalazinyl)benzoate
3281-0997 Screening compound: propyl 4-(4-oxo-3,4-dihydro-1-phthalazinyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3281-0997
propyl 4-(4-oxo-3,4-dihydro-1-phthalazinyl)benzoate

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

3281-0997

Molecular Formula

C18H16N2O3 (C18 H16 N2 O3)

Compound Name

propyl 4-(4-oxo-3,4-dihydro-1-phthalazinyl)benzoate

IUPAC name

propyl 4-(4-oxo-34-dihydrophthalazin-1-yl)benzoate

SMILES

CCCOC(c(cc1)ccc1C(c1c2cccc1)=NNC2=O)=O

InChI

InChI=1S/C18H16N2O3/c1-2-11-23-18(22)13-9-7-12(8-10-13)16-14-5-3-4-6-15(14)17(21)20-19-16/h3-10H,2,11H2,1H3,(H,20,21)

InChI Key

BOEGFEDHJNTYIR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.571

Distribution Coefficient, logD

3.570

Water Solubility, LogSw

-3.59

Polar Surface Area

57.406

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

3281-0997 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3281-0997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3281-0997?
Check Price and Availability of 3281-0997, 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 3281-0997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3281-0997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3281-0997
  • 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 3281-0997 available by request