4380-0117 Screening compound: 1,5-diethyl 2,6-dioxo-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate

4380-0117 Screening compound: 1,5-diethyl 2,6-dioxo-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate
4380-0117 Screening compound: 1,5-diethyl 2,6-dioxo-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4380-0117
1,5-diethyl 2,6-dioxo-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate

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

4380-0117

Molecular Formula

C13H18N2O6 (C13 H18 N2 O6)

Compound Name

1,5-diethyl 2,6-dioxo-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate

IUPAC name

15-diethyl 26-dioxo-37-diazabicyclo[3.3.1]nonane-15-dicarboxylate

SMILES

CCOC(C(CC1(CN2)C(OCC)=O)(CNC1=O)C2=O)=O

InChI

InChI=1S/C13H18N2O6/c1-3-20-10(18)12-5-13(7-15-8(12)16,9(17)14-6-12)11(19)21-4-2/h3-7H2,1-2H3,(H,14,17)(H,15,16)

InChI Key

HGDSPYPCTVZIRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.347

Distribution Coefficient, logD

0.347

Water Solubility, LogSw

-0.74

Polar Surface Area

91.881

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

69.20

4380-0117 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4380-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4380-0117?
Check Price and Availability of 4380-0117, 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 4380-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4380-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4380-0117
  • 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 4380-0117 available by request