3948-0702 Screening compound: [3,4,5-tris(acetyloxy)-6-[(2-phenoxyethyl)sulfanyl]oxan-2-yl]methyl acetate

3948-0702 Screening compound: [3,4,5-tris(acetyloxy)-6-[(2-phenoxyethyl)sulfanyl]oxan-2-yl]methyl acetate
3948-0702 Screening compound: [3,4,5-tris(acetyloxy)-6-[(2-phenoxyethyl)sulfanyl]oxan-2-yl]methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3948-0702
[3,4,5-tris(acetyloxy)-6-[(2-phenoxyethyl)sulfanyl]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

3948-0702

Molecular Formula

C22H28O10S (C22 H28 O10 S)

Compound Name

[3,4,5-tris(acetyloxy)-6-[(2-phenoxyethyl)sulfanyl]oxan-2-yl]methyl acetate

IUPAC name

[345-tris(acetyloxy)-6-[(2-phenoxyethyl)sulfanyl]oxan-2-yl]methyl acetate

SMILES

CC(OCC(C(C(C1OC(C)=O)OC(C)=O)OC(C)=O)OC1SCCOc1ccccc1)=O

InChI

InChI=1S/C22H28O10S/c1-13(23)28-12-18-19(29-14(2)24)20(30-15(3)25)21(31-16(4)26)22(32-18)33-11-10-27-17-8-6-5-7-9-17/h5-9,18-22H,10-12H2,1-4H3

InChI Key

HTRZOVQXKXBCEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02753319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.52

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.141

Distribution Coefficient, logD

2.141

Water Solubility, LogSw

-2.24

Polar Surface Area

97.766

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

54.50

References: we are preparing a list of scientific research reports with 3948-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3948-0702?
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What is the minimum amount of 3948-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3948-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3948-0702
  • 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 3948-0702 available by request