F044-0021 Screening compound: methyl 1-({[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]carbamoyl}carbonyl)piperidine-4-carboxylate

F044-0021 Screening compound: methyl 1-({[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]carbamoyl}carbonyl)piperidine-4-carboxylate
F044-0021 Screening compound: methyl 1-({[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]carbamoyl}carbonyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F044-0021
methyl 1-({[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]carbamoyl}carbonyl)piperidine-4-carboxylate

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

F044-0021

Molecular Formula

C18H20N4O5 (C18 H20 N4 O5)

Compound Name

methyl 1-({[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]carbamoyl}carbonyl)piperidine-4-carboxylate

IUPAC name

methyl 1-({[(4-oxo-34-dihydrophthalazin-1-yl)methyl]carbamoyl}carbonyl)piperidine-4-carboxylate

SMILES

COC(C(CC1)CCN1C(C(NCC(c1c2cccc1)=NNC2=O)=O)=O)=O

InChI

InChI=1S/C18H20N4O5/c1-27-18(26)11-6-8-22(9-7-11)17(25)16(24)19-10-14-12-4-2-3-5-13(12)15(23)21-20-14/h2-5,11H,6-10H2,1H3,(H,19,24)(H,21,23)

InChI Key

NAOMYIGBUQCICW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.124

Distribution Coefficient, logD

-0.389

Water Solubility, LogSw

-2.09

Polar Surface Area

99.040

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

F044-0021 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F044-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F044-0021?
Check Price and Availability of F044-0021, 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 F044-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F044-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F044-0021
  • 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 F044-0021 available by request