4483-3137 Screening compound: 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-phenylpropanoate

4483-3137 Screening compound: 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-phenylpropanoate
4483-3137 Screening compound: 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-3137
2-(3,4-dimethylphenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-phenylpropanoate

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

4483-3137

Molecular Formula

C28H27NO5 (C28 H27 NO5)

Compound Name

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

IUPAC name

2-(34-dimethylphenyl)-2-oxoethyl 2-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}-3-phenylpropanoate

SMILES

Cc(cc1)c(C)cc1C(COC(C(Cc1ccccc1)N(C(C1C2C3C=CC1C3)=O)C2=O)=O)=O

InChI

InChI=1S/C28H27NO5/c1-16-8-9-19(12-17(16)2)23(30)15-34-28(33)22(13-18-6-4-3-5-7-18)29-26(31)24-20-10-11-21(14-20)25(24)27(29)32/h3-12,20-22,24-25H,13-15H2,1-2H3

InChI Key

UUKIXNLGKBWLGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02577659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.418

Distribution Coefficient, logD

4.418

Water Solubility, LogSw

-4.55

Polar Surface Area

63.366

Acid Dissociation Constant (pKa)

18.46

Base Dissociation Constant (pKb)

-9.18

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with 4483-3137 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-3137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-3137
  • 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 4483-3137 available by request