2244-0020 Screening compound: [3,4-bis(acetyloxy)-5-acetamido-6-(4-formylphenoxy)oxan-2-yl]methyl acetate

2244-0020 Screening compound: [3,4-bis(acetyloxy)-5-acetamido-6-(4-formylphenoxy)oxan-2-yl]methyl acetate
2244-0020 Screening compound: [3,4-bis(acetyloxy)-5-acetamido-6-(4-formylphenoxy)oxan-2-yl]methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2244-0020
[3,4-bis(acetyloxy)-5-acetamido-6-(4-formylphenoxy)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

2244-0020

Molecular Formula

C21H25NO10 (C21 H25 NO10)

Compound Name

[3,4-bis(acetyloxy)-5-acetamido-6-(4-formylphenoxy)oxan-2-yl]methyl acetate

IUPAC name

[34-bis(acetyloxy)-5-acetamido-6-(4-formylphenoxy)oxan-2-yl]methyl acetate

SMILES

CC(NC(C1OC(C)=O)C(Oc2ccc(C=O)cc2)OC(COC(C)=O)C1OC(C)=O)=O

InChI

InChI=1S/C21H25NO10/c1-11(24)22-18-20(30-14(4)27)19(29-13(3)26)17(10-28-12(2)25)32-21(18)31-16-7-5-15(9-23)6-8-16/h5-9,17-21H,10H2,1-4H3,(H,22,24)

InChI Key

FVQYHIYFHAVCLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01815847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.43

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.711

Distribution Coefficient, logD

0.711

Water Solubility, LogSw

-1.50

Polar Surface Area

117.042

Acid Dissociation Constant (pKa)

15.13

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

47.60

2244-0020 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2244-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2244-0020?
Check Price and Availability of 2244-0020, 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 2244-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2244-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2244-0020
  • 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 2244-0020 available by request