4123-0159 Screening compound: butyl 3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-2-yl)propanoate

4123-0159 Screening compound: butyl 3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-2-yl)propanoate
4123-0159 Screening compound: butyl 3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-2-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4123-0159
butyl 3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-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

4123-0159

Molecular Formula

C15H18N2O4 (C15 H18 N2 O4)

Compound Name

butyl 3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-2-yl)propanoate

IUPAC name

butyl 3-(14-dioxo-1234-tetrahydrophthalazin-2-yl)propanoate

SMILES

CCCCOC(CCN(C(c1c2cccc1)=O)NC2=O)=O

InChI

InChI=1S/C15H18N2O4/c1-2-3-10-21-13(18)8-9-17-15(20)12-7-5-4-6-11(12)14(19)16-17/h4-7H,2-3,8-10H2,1H3,(H,16,19)

InChI Key

LKQQLTUSZYWCIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01952132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.219

Distribution Coefficient, logD

1.206

Water Solubility, LogSw

-2.42

Polar Surface Area

64.516

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4123-0159 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4123-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4123-0159?
Check Price and Availability of 4123-0159, 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 4123-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4123-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4123-0159
  • 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 4123-0159 available by request