3966-0324 Screening compound: [3,4,5-tris(acetyloxy)-6-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxan-2-yl]methyl acetate

3966-0324 Screening compound: [3,4,5-tris(acetyloxy)-6-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxan-2-yl]methyl acetate
3966-0324 Screening compound: [3,4,5-tris(acetyloxy)-6-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxan-2-yl]methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-0324
[3,4,5-tris(acetyloxy)-6-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxan-2-yl]methyl acetate

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

3966-0324

Molecular Formula

C18H21FN2O11 (C18 H21 FN2 O11)

Compound Name

[3,4,5-tris(acetyloxy)-6-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxan-2-yl]methyl acetate

IUPAC name

[345-tris(acetyloxy)-6-(5-fluoro-24-dioxo-1234-tetrahydropyrimidin-1-yl)oxan-2-yl]methyl acetate

SMILES

CC(OCC(C(C(C1OC(C)=O)OC(C)=O)OC(C)=O)OC1N(C=C(C(N1)=O)F)C1=O)=O

InChI

InChI=1S/C18H21FN2O11/c1-7(22)28-6-12-13(29-8(2)23)14(30-9(3)24)15(31-10(4)25)17(32-12)21-5-11(19)16(26)20-18(21)27/h5,12-15,17H,6H2,1-4H3,(H,20,26,27)

InChI Key

KFKKTSXEZGNSGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02232605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.37

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

-0.380

Distribution Coefficient, logD

-0.429

Water Solubility, LogSw

-1.11

Polar Surface Area

130.779

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

55.60

3966-0324 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Mimetics
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3966-0324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-0324?
Check Price and Availability of 3966-0324, 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 3966-0324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-0324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-0324
  • 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 3966-0324 available by request