S001-0007 Screening compound: 2-{[(methylsulfonyl)oxy]methyl}-6-oxo-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl methanesulfonate

S001-0007 Screening compound: 2-{[(methylsulfonyl)oxy]methyl}-6-oxo-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl methanesulfonate
S001-0007 Screening compound: 2-{[(methylsulfonyl)oxy]methyl}-6-oxo-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound S001-0007
2-{[(methylsulfonyl)oxy]methyl}-6-oxo-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl methanesulfonate

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

S001-0007

Molecular Formula

C11H14N2O9S2 (C11 H14 N2 O9 S2)

Compound Name

2-{[(methylsulfonyl)oxy]methyl}-6-oxo-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl methanesulfonate

IUPAC name

[5-(methanesulfonyloxy)-10-oxo-37-dioxa-19-diazatricyclo[6.4.0.0^{26}]dodeca-811-dien-4-yl]methyl methanesulfonate

SMILES

CS(OCC(C(C1O2)OS(C)(=O)=O)OC1N(C=C1)C2=NC1=O)(=O)=O

InChI

InChI=1S/C11H14N2O9S2/c1-23(15,16)19-5-6-8(22-24(2,17)18)9-10(20-6)13-4-3-7(14)12-11(13)21-9/h3-4,6,8-10H,5H2,1-2H3

InChI Key

MBTDUPPIBFRXOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.37

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-2.781

Distribution Coefficient, logD

-2.781

Water Solubility, LogSw

-1.06

Polar Surface Area

115.852

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

63.60

S001-0007 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S001-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S001-0007?
Check Price and Availability of S001-0007, 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 S001-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S001-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S001-0007
  • 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 S001-0007 available by request