D216-0413 Screening compound: 2-[4-oxo-3-(propan-2-yl)-3,4-dihydrophthalazin-1-yl]acetic acid

D216-0413 Screening compound: 2-[4-oxo-3-(propan-2-yl)-3,4-dihydrophthalazin-1-yl]acetic acid
D216-0413 Screening compound: 2-[4-oxo-3-(propan-2-yl)-3,4-dihydrophthalazin-1-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0413
2-[4-oxo-3-(propan-2-yl)-3,4-dihydrophthalazin-1-yl]acetic acid

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

D216-0413

Molecular Formula

C13H14N2O3 (C13 H14 N2 O3)

Compound Name

2-[4-oxo-3-(propan-2-yl)-3,4-dihydrophthalazin-1-yl]acetic acid

IUPAC name

2-[4-oxo-3-(propan-2-yl)-34-dihydrophthalazin-1-yl]acetic acid

SMILES

CC(C)N1N=C(CC(O)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C13H14N2O3/c1-8(2)15-13(18)10-6-4-3-5-9(10)11(14-15)7-12(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)

InChI Key

LBVITQCHGOFTGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01192105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.530

Distribution Coefficient, logD

-1.999

Water Solubility, LogSw

-2.08

Polar Surface Area

54.939

Acid Dissociation Constant (pKa)

3.87

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D216-0413 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 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 D216-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0413?
Check Price and Availability of D216-0413, 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 D216-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0413
  • 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 D216-0413 available by request