4483-1368 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate

4483-1368 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate
4483-1368 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-1368
2-(4-bromophenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate

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

4483-1368

Molecular Formula

C19H16BrNO5 (C19 H16 BrNO5)

Compound Name

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

IUPAC name

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

SMILES

O=C(COC(CN(C(C1C2C3C=CC1C3)=O)C2=O)=O)c(cc1)ccc1Br

InChI

InChI=1S/C19H16BrNO5/c20-13-5-3-10(4-6-13)14(22)9-26-15(23)8-21-18(24)16-11-1-2-12(7-11)17(16)19(21)25/h1-6,11-12,16-17H,7-9H2

InChI Key

JYKUGGCJZPTERA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01122770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.24

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.988

Distribution Coefficient, logD

1.988

Water Solubility, LogSw

-2.37

Polar Surface Area

64.117

Acid Dissociation Constant (pKa)

18.15

Base Dissociation Constant (pKb)

-9.16

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

36.80

4483-1368 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4483-1368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-1368?
Check Price and Availability of 4483-1368, 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 4483-1368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-1368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-1368
  • 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 4483-1368 available by request