8008-8478 Screening compound: 4-(1,3-benzodioxol-5-yl)-1-methyl-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

8008-8478 Screening compound: 4-(1,3-benzodioxol-5-yl)-1-methyl-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
8008-8478 Screening compound: 4-(1,3-benzodioxol-5-yl)-1-methyl-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8478
4-(1,3-benzodioxol-5-yl)-1-methyl-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

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

8008-8478

Molecular Formula

C16H13NO5 (C16 H13 NO5)

Compound Name

4-(1,3-benzodioxol-5-yl)-1-methyl-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-(2H-13-benzodioxol-5-yl)-1-methyl-10-oxa-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

CC1(C(C2C(N3c(cc4)cc5c4OCO5)=O)C3=O)OC2C=C1

InChI

InChI=1S/C16H13NO5/c1-16-5-4-10(22-16)12-13(16)15(19)17(14(12)18)8-2-3-9-11(6-8)21-7-20-9/h2-6,10,12-13H,7H2,1H3

InChI Key

WCFFSIHYUQAEPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01465228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.236

Distribution Coefficient, logD

1.236

Water Solubility, LogSw

-2.03

Polar Surface Area

53.917

Acid Dissociation Constant (pKa)

16.72

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

37.50

8008-8478 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-8478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8478?
Check Price and Availability of 8008-8478, 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 8008-8478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8478
  • 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 8008-8478 available by request