4483-3306 Screening compound: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoate

4483-3306 Screening compound: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoate
4483-3306 Screening compound: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-3306
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoate

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

4483-3306

Molecular Formula

C25H22N2O7 (C25 H22 N2 O7)

Compound Name

2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoate

IUPAC name

2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]decan-4-yl}benzoate

SMILES

Cc(ccc(C(COC(c1cc(N(C(C2C3C4CC2CC4)=O)C3=O)ccc1)=O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C25H22N2O7/c1-13-5-6-14(11-19(13)27(32)33)20(28)12-34-25(31)17-3-2-4-18(10-17)26-23(29)21-15-7-8-16(9-15)22(21)24(26)30/h2-6,10-11,15-16,21-22H,7-9,12H2,1H3

InChI Key

PRQOTWQQZHJXIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02318466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.46

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

3.306

Water Solubility, LogSw

-3.82

Polar Surface Area

96.910

Acid Dissociation Constant (pKa)

17.54

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

36.00

4483-3306 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4483-3306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-3306?
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What is the minimum amount of 4483-3306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-3306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-3306
  • 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 4483-3306 available by request