2244-0008 Screening compound: 3-(acetyloxy)-6-(benzyloxy)-5-acetamido-2-(hydroxymethyl)oxan-4-yl acetate

2244-0008 Screening compound: 3-(acetyloxy)-6-(benzyloxy)-5-acetamido-2-(hydroxymethyl)oxan-4-yl acetate
2244-0008 Screening compound: 3-(acetyloxy)-6-(benzyloxy)-5-acetamido-2-(hydroxymethyl)oxan-4-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2244-0008
3-(acetyloxy)-6-(benzyloxy)-5-acetamido-2-(hydroxymethyl)oxan-4-yl 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

2244-0008

Molecular Formula

C19H25NO8 (C19 H25 NO8)

Compound Name

3-(acetyloxy)-6-(benzyloxy)-5-acetamido-2-(hydroxymethyl)oxan-4-yl acetate

IUPAC name

3-(acetyloxy)-6-(benzyloxy)-5-acetamido-2-(hydroxymethyl)oxan-4-yl acetate

SMILES

CC(NC(C1OC(C)=O)C(OCc2ccccc2)OC(CO)C1OC(C)=O)=O

InChI

InChI=1S/C19H25NO8/c1-11(22)20-16-18(27-13(3)24)17(26-12(2)23)15(9-21)28-19(16)25-10-14-7-5-4-6-8-14/h4-8,15-19,21H,9-10H2,1-3H3,(H,20,22)

InChI Key

RHHNTCYTVQANIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02269855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.972

Distribution Coefficient, logD

0.972

Water Solubility, LogSw

-1.31

Polar Surface Area

99.247

Acid Dissociation Constant (pKa)

13.96

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

52.60

2244-0008 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2244-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2244-0008?
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What is the minimum amount of 2244-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2244-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2244-0008
  • 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 2244-0008 available by request