6016-3190 Screening compound: 3-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-ethylpropanamide

6016-3190 Screening compound: 3-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-ethylpropanamide
6016-3190 Screening compound: 3-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-ethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6016-3190
3-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-ethylpropanamide

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

6016-3190

Molecular Formula

C19H18ClN3O2 (C19 H18 ClN3 O2)

Compound Name

3-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]-N-ethylpropanamide

IUPAC name

3-[4-(4-chlorophenyl)-1-oxo-12-dihydrophthalazin-2-yl]-N-ethylpropanamide

SMILES

CCNC(CCN1N=C(c(cc2)ccc2Cl)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C19H18ClN3O2/c1-2-21-17(24)11-12-23-19(25)16-6-4-3-5-15(16)18(22-23)13-7-9-14(20)10-8-13/h3-10H,2,11-12H2,1H3,(H,21,24)

InChI Key

DOPUWCBNDXVKDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04004846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.467

Distribution Coefficient, logD

2.467

Water Solubility, LogSw

-3.60

Polar Surface Area

51.542

Acid Dissociation Constant (pKa)

15.05

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

6016-3190 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 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
  • 3D

References: we are preparing a list of scientific research reports with 6016-3190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6016-3190?
Check Price and Availability of 6016-3190, 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 6016-3190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6016-3190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6016-3190
  • 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 6016-3190 available by request