4483-1365 Screening compound: 2-(3-nitrophenyl)-2-oxoethyl 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoate

4483-1365 Screening compound: 2-(3-nitrophenyl)-2-oxoethyl 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoate
4483-1365 Screening compound: 2-(3-nitrophenyl)-2-oxoethyl 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-1365
2-(3-nitrophenyl)-2-oxoethyl 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-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

4483-1365

Molecular Formula

C24H18N2O7 (C24 H18 N2 O7)

Compound Name

2-(3-nitrophenyl)-2-oxoethyl 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoate

IUPAC name

2-(3-nitrophenyl)-2-oxoethyl 4-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}benzoate

SMILES

[O-][N+](c1cc(C(COC(c(cc2)ccc2N(C(C2C3C4C=CC2C4)=O)C3=O)=O)=O)ccc1)=O

InChI

InChI=1S/C24H18N2O7/c27-19(14-2-1-3-18(11-14)26(31)32)12-33-24(30)13-6-8-17(9-7-13)25-22(28)20-15-4-5-16(10-15)21(20)23(25)29/h1-9,11,15-16,20-21H,10,12H2

InChI Key

IDCQCRGROZFUCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01122767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.42

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

2.872

Distribution Coefficient, logD

2.872

Water Solubility, LogSw

-3.35

Polar Surface Area

97.211

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

-7.58

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4483-1365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-1365?
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What is the minimum amount of 4483-1365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-1365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-1365
  • 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 4483-1365 available by request