4333-4419 Screening compound: 2-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

4333-4419 Screening compound: 2-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
4333-4419 Screening compound: 2-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-4419
2-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

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

4333-4419

Molecular Formula

C19H19N3O6 (C19 H19 N3 O6)

Compound Name

2-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-77-dimethyl-5-oxo-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

CC(C)(C1)CC(OC(N)=C(C2c(cc3OC)cc([N+]([O-])=O)c3O)C#N)=C2C1=O

InChI

InChI=1S/C19H19N3O6/c1-19(2)6-12(23)16-14(7-19)28-18(21)10(8-20)15(16)9-4-11(22(25)26)17(24)13(5-9)27-3/h4-5,15,24H,6-7,21H2,1-3H3/t15-/m1/s1

InChI Key

LAJGUSLJKLHMGU-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01197921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.952

Distribution Coefficient, logD

1.656

Water Solubility, LogSw

-2.08

Polar Surface Area

115.792

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

4333-4419 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4333-4419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-4419?
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What is the minimum amount of 4333-4419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-4419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-4419
  • 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 4333-4419 available by request