6216-0067 Screening compound: 4-{4-[(2-methoxyethyl)amino]-3-nitrophenyl}-2-methyl-1,2-dihydrophthalazin-1-one

6216-0067 Screening compound: 4-{4-[(2-methoxyethyl)amino]-3-nitrophenyl}-2-methyl-1,2-dihydrophthalazin-1-one
6216-0067 Screening compound: 4-{4-[(2-methoxyethyl)amino]-3-nitrophenyl}-2-methyl-1,2-dihydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6216-0067
4-{4-[(2-methoxyethyl)amino]-3-nitrophenyl}-2-methyl-1,2-dihydrophthalazin-1-one

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

6216-0067

Molecular Formula

C18H18N4O4 (C18 H18 N4 O4)

Compound Name

4-{4-[(2-methoxyethyl)amino]-3-nitrophenyl}-2-methyl-1,2-dihydrophthalazin-1-one

IUPAC name

4-{4-[(2-methoxyethyl)amino]-3-nitrophenyl}-2-methyl-12-dihydrophthalazin-1-one

SMILES

CN1N=C(c(cc2)cc([N+]([O-])=O)c2NCCOC)c(cccc2)c2C1=O

InChI

InChI=1S/C18H18N4O4/c1-21-18(23)14-6-4-3-5-13(14)17(20-21)12-7-8-15(19-9-10-26-2)16(11-12)22(24)25/h3-8,11,19H,9-10H2,1-2H3

InChI Key

IMOQBLIKAYXTAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04012705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.577

Distribution Coefficient, logD

2.577

Water Solubility, LogSw

-3.24

Polar Surface Area

78.219

Acid Dissociation Constant (pKa)

16.66

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

6216-0067 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6216-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6216-0067?
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What is the minimum amount of 6216-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6216-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6216-0067
  • 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 6216-0067 available by request