5988-0076 Screening compound: butyl N-[(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)methyl]carbamate

5988-0076 Screening compound: butyl N-[(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)methyl]carbamate
5988-0076 Screening compound: butyl N-[(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)methyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5988-0076
butyl N-[(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)methyl]carbamate

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

5988-0076

Molecular Formula

C15H20N2O4 (C15 H20 N2 O4)

Compound Name

butyl N-[(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)methyl]carbamate

IUPAC name

butyl N-({35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}methyl)carbamate

SMILES

CCCCOC(NCN(C(C1C2C3C=CC1C3)=O)C2=O)=O

InChI

InChI=1S/C15H20N2O4/c1-2-3-6-21-15(20)16-8-17-13(18)11-9-4-5-10(7-9)12(11)14(17)19/h4-5,9-12H,2-3,6-8H2,1H3,(H,16,20)

InChI Key

DJAOSKXWQCTJNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.628

Distribution Coefficient, logD

1.628

Water Solubility, LogSw

-1.80

Polar Surface Area

64.321

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

66.70

5988-0076 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5988-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5988-0076?
Check Price and Availability of 5988-0076, 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 5988-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5988-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5988-0076
  • 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 5988-0076 available by request