4463-0200 Screening compound: 4-amino-2-(2-hydroxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2H-chromene-3-carbonitrile

4463-0200 Screening compound: 4-amino-2-(2-hydroxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2H-chromene-3-carbonitrile
4463-0200 Screening compound: 4-amino-2-(2-hydroxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4463-0200
4-amino-2-(2-hydroxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2H-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

4463-0200

Molecular Formula

C18H17N3O5 (C18 H17 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(CC1=O)CC(OC2c(cc(cc3)[N+]([O-])=O)c3O)=C1C(N)=C2C#N

InChI

InChI=1S/C18H17N3O5/c1-18(2)6-13(23)15-14(7-18)26-17(11(8-19)16(15)20)10-5-9(21(24)25)3-4-12(10)22/h3-5,17,22H,6-7,20H2,1-2H3/t17-/m0/s1

InChI Key

XNYHECIUGHIGRJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03177187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.198

Distribution Coefficient, logD

1.902

Water Solubility, LogSw

-2.44

Polar Surface Area

108.972

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4463-0200 in Drug Discovery

Included in Screening Libraries

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 4463-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4463-0200?
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What is the minimum amount of 4463-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4463-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4463-0200
  • 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 4463-0200 available by request