6705-0251 Screening compound: methyl 2-(1-oxo-1,2-dihydrophthalazin-2-yl)propanoate

6705-0251 Screening compound: methyl 2-(1-oxo-1,2-dihydrophthalazin-2-yl)propanoate
6705-0251 Screening compound: methyl 2-(1-oxo-1,2-dihydrophthalazin-2-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6705-0251
methyl 2-(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

6705-0251

Molecular Formula

C12H12N2O3 (C12 H12 N2 O3)

Compound Name

methyl 2-(1-oxo-1,2-dihydrophthalazin-2-yl)propanoate

IUPAC name

methyl 2-(1-oxo-12-dihydrophthalazin-2-yl)propanoate

SMILES

CC(C(OC)=O)N1N=Cc(cccc2)c2C1=O

InChI

InChI=1S/C12H12N2O3/c1-8(12(16)17-2)14-11(15)10-6-4-3-5-9(10)7-13-14/h3-8H,1-2H3/t8-/m0/s1

InChI Key

OOLZEDNEIKDSAR-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD04141977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.144

Distribution Coefficient, logD

1.144

Water Solubility, LogSw

-2.00

Polar Surface Area

48.209

Acid Dissociation Constant (pKa)

15.34

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

6705-0251 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 6705-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6705-0251?
Check Price and Availability of 6705-0251, 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 6705-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6705-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6705-0251
  • 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 6705-0251 available by request