4483-1487 Screening compound: isobutyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoate

4483-1487 Screening compound: isobutyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoate
4483-1487 Screening compound: isobutyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-1487
isobutyl 2-(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

4483-1487

Molecular Formula

C20H23NO4 (C20 H23 NO4)

Compound Name

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

IUPAC name

2-methylpropyl 2-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]decan-4-yl}benzoate

SMILES

CC(C)COC(c(cccc1)c1N(C(C1C2C3CC1CC3)=O)C2=O)=O

InChI

InChI=1S/C20H23NO4/c1-11(2)10-25-20(24)14-5-3-4-6-15(14)21-18(22)16-12-7-8-13(9-12)17(16)19(21)23/h3-6,11-13,16-17H,7-10H2,1-2H3

InChI Key

SQPYKOKJWNDWRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01156340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.986

Distribution Coefficient, logD

2.986

Water Solubility, LogSw

-3.58

Polar Surface Area

50.553

Acid Dissociation Constant (pKa)

17.54

Base Dissociation Constant (pKb)

-5.66

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

55.00

4483-1487 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4483-1487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-1487?
Check Price and Availability of 4483-1487, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4483-1487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-1487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-1487
  • 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 4483-1487 available by request