5988-0094 Screening compound: butyl N-[1-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)ethyl]carbamate

5988-0094 Screening compound: butyl N-[1-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)ethyl]carbamate
5988-0094 Screening compound: butyl N-[1-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)ethyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5988-0094
butyl N-[1-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)ethyl]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

5988-0094

Molecular Formula

C16H22N2O4 (C16 H22 N2 O4)

Compound Name

butyl N-[1-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)ethyl]carbamate

IUPAC name

butyl N-(1-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}ethyl)carbamate

SMILES

CCCCOC(NC(C)N(C(C1C2C3C=CC1C3)=O)C2=O)=O

InChI

InChI=1S/C16H22N2O4/c1-3-4-7-22-16(21)17-9(2)18-14(19)12-10-5-6-11(8-10)13(12)15(18)20/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,17,21)

InChI Key

NDKKVNGIBAMTOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.36

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

2.045

Distribution Coefficient, logD

2.045

Water Solubility, LogSw

-2.22

Polar Surface Area

61.368

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

68.80

References: we are preparing a list of scientific research reports with 5988-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5988-0094?
Check Price and Availability of 5988-0094, 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 5988-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5988-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5988-0094
  • 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 5988-0094 available by request