6216-0062 Screening compound: 4-{4-[(1-hydroxybutan-2-yl)amino]-3-nitrophenyl}-2-methyl-1,2-dihydrophthalazin-1-one

6216-0062 Screening compound: 4-{4-[(1-hydroxybutan-2-yl)amino]-3-nitrophenyl}-2-methyl-1,2-dihydrophthalazin-1-one
6216-0062 Screening compound: 4-{4-[(1-hydroxybutan-2-yl)amino]-3-nitrophenyl}-2-methyl-1,2-dihydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6216-0062
4-{4-[(1-hydroxybutan-2-yl)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

6216-0062

Molecular Formula

C19H20N4O4 (C19 H20 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCC(CO)Nc(ccc(C(c1c2cccc1)=NN(C)C2=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C19H20N4O4/c1-3-13(11-24)20-16-9-8-12(10-17(16)23(26)27)18-14-6-4-5-7-15(14)19(25)22(2)21-18/h4-10,13,20,24H,3,11H2,1-2H3/t13-/m0/s1

InChI Key

ASOVKTAKHFUBAA-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04014018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.959

Distribution Coefficient, logD

2.959

Water Solubility, LogSw

-3.62

Polar Surface Area

87.059

Acid Dissociation Constant (pKa)

15.58

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

6216-0062 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6216-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6216-0062?
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What is the minimum amount of 6216-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6216-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6216-0062
  • 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 6216-0062 available by request