6016-3176 Screening compound: methyl 3-[4-(4-methylphenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanoate

6016-3176 Screening compound: methyl 3-[4-(4-methylphenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanoate
6016-3176 Screening compound: methyl 3-[4-(4-methylphenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6016-3176
methyl 3-[4-(4-methylphenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanoate

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

6016-3176

Molecular Formula

C19H18N2O3 (C19 H18 N2 O3)

Compound Name

methyl 3-[4-(4-methylphenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanoate

IUPAC name

methyl 3-[4-(4-methylphenyl)-1-oxo-12-dihydrophthalazin-2-yl]propanoate

SMILES

Cc(cc1)ccc1C(c1c2cccc1)=NN(CCC(OC)=O)C2=O

InChI

InChI=1S/C19H18N2O3/c1-13-7-9-14(10-8-13)18-15-5-3-4-6-16(15)19(23)21(20-18)12-11-17(22)24-2/h3-10H,11-12H2,1-2H3

InChI Key

BJGOFFUJMGOTPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04188677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.767

Distribution Coefficient, logD

2.766

Water Solubility, LogSw

-3.15

Polar Surface Area

48.024

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

6016-3176 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 6016-3176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6016-3176?
Check Price and Availability of 6016-3176, 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 6016-3176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6016-3176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6016-3176
  • 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 6016-3176 available by request