4483-1537 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-3-methylbutanoate

4483-1537 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-3-methylbutanoate
4483-1537 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-1537
2-(4-nitrophenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-3-methylbutanoate

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

4483-1537

Molecular Formula

C22H24N2O7 (C22 H24 N2 O7)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(C(OCC(c(cc1)ccc1[N+]([O-])=O)=O)=O)N(C(C1C2C3CC1CC3)=O)C2=O

InChI

InChI=1S/C22H24N2O7/c1-11(2)19(23-20(26)17-13-3-4-14(9-13)18(17)21(23)27)22(28)31-10-16(25)12-5-7-15(8-6-12)24(29)30/h5-8,11,13-14,17-19H,3-4,9-10H2,1-2H3

InChI Key

IPJWKCLBWAIBPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01156399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.44

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.310

Distribution Coefficient, logD

2.310

Water Solubility, LogSw

-2.61

Polar Surface Area

97.055

Acid Dissociation Constant (pKa)

19.28

Base Dissociation Constant (pKb)

-5.97

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

54.50

References: we are preparing a list of scientific research reports with 4483-1537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-1537?
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What is the minimum amount of 4483-1537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-1537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-1537
  • 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 4483-1537 available by request