8001-5615 Screening compound: 1-{4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl}pyrrolidine-2,5-dione

8001-5615 Screening compound: 1-{4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl}pyrrolidine-2,5-dione
8001-5615 Screening compound: 1-{4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-5615
1-{4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl}pyrrolidine-2,5-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

8001-5615

Molecular Formula

C10H11NO5 (C10 H11 NO5)

Compound Name

1-{4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl}pyrrolidine-2,5-dione

IUPAC name

1-[(2S5R)-4-oxo-68-dioxabicyclo[3.2.1]octan-2-yl]pyrrolidine-25-dione

SMILES

O=C(CC1)N([C@@H](CC2=O)C3O[C@H]2OC3)C1=O

InChI

InChI=1S/C10H11NO5/c12-6-3-5(7-4-15-10(6)16-7)11-8(13)1-2-9(11)14/h5,7,10H,1-4H2/t5-,7?,10-/m1/s1

InChI Key

MWNPFZGFCGCPRJ-VWRUBDDNSA-N

MDL Number (MFCD)

MFCD00732008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

225.2

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-1.704

Distribution Coefficient, logD

-1.704

Water Solubility, LogSw

-0.12

Polar Surface Area

59.864

Acid Dissociation Constant (pKa)

18.56

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

70.00

8001-5615 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8001-5615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-5615?
Check Price and Availability of 8001-5615, 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 8001-5615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-5615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-5615
  • 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 8001-5615 available by request