6016-3044 Screening compound: ethyl N-{[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}carbamate

6016-3044 Screening compound: ethyl N-{[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}carbamate
6016-3044 Screening compound: ethyl N-{[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6016-3044
ethyl N-{[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}carbamate

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

6016-3044

Molecular Formula

C20H21N3O3 (C20 H21 N3 O3)

Compound Name

ethyl N-{[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}carbamate

IUPAC name

ethyl N-{[2-methyl-5-(3-methyl-4-oxo-34-dihydrophthalazin-1-yl)phenyl]methyl}carbamate

SMILES

CCOC(NCc1c(C)ccc(C(c2c3cccc2)=NN(C)C3=O)c1)=O

InChI

InChI=1S/C20H21N3O3/c1-4-26-20(25)21-12-15-11-14(10-9-13(15)2)18-16-7-5-6-8-17(16)19(24)23(3)22-18/h5-11H,4,12H2,1-3H3,(H,21,25)

InChI Key

XUMKWRKRDVHDMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04006247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.303

Distribution Coefficient, logD

3.300

Water Solubility, LogSw

-3.57

Polar Surface Area

59.912

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6016-3044 in Drug Discovery

Included in Screening Libraries

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 6016-3044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6016-3044?
Check Price and Availability of 6016-3044, 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 6016-3044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6016-3044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6016-3044
  • 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 6016-3044 available by request