0613-0017 Screening compound: 2,3,5-tris(acetyloxy)-6-({3-hydroxy-4-[2-(4-methoxyphenoxy)acetyl]phenoxy}methyl)tetrahydro-2H-pyran-4-yl acetate

0613-0017 Screening compound: 2,3,5-tris(acetyloxy)-6-({3-hydroxy-4-[2-(4-methoxyphenoxy)acetyl]phenoxy}methyl)tetrahydro-2H-pyran-4-yl acetate
0613-0017 Screening compound: 2,3,5-tris(acetyloxy)-6-({3-hydroxy-4-[2-(4-methoxyphenoxy)acetyl]phenoxy}methyl)tetrahydro-2H-pyran-4-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0613-0017
2,3,5-tris(acetyloxy)-6-({3-hydroxy-4-[2-(4-methoxyphenoxy)acetyl]phenoxy}methyl)tetrahydro-2H-pyran-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

0613-0017

Molecular Formula

C29H32O14 (C29 H32 O14)

Compound Name

2,3,5-tris(acetyloxy)-6-({3-hydroxy-4-[2-(4-methoxyphenoxy)acetyl]phenoxy}methyl)tetrahydro-2H-pyran-4-yl acetate

IUPAC name

245-tris(acetyloxy)-6-({3-hydroxy-4-[2-(4-methoxyphenoxy)acetyl]phenoxy}methyl)oxan-3-yl acetate

SMILES

CC(OC(C(COc(cc1)cc(O)c1C(COc(cc1)ccc1OC)=O)OC(C1OC(C)=O)OC(C)=O)C1OC(C)=O)=O

InChI

InChI=1S/C29H32O14/c1-15(30)39-26-25(43-29(42-18(4)33)28(41-17(3)32)27(26)40-16(2)31)14-38-21-10-11-22(23(34)12-21)24(35)13-37-20-8-6-19(36-5)7-9-20/h6-12,25-29,34H,13-14H2,1-5H3

InChI Key

OYBAMXUCHZQZPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

604.56

Hydrogen Bond Acceptors Count

19.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

3.281

Distribution Coefficient, logD

3.262

Water Solubility, LogSw

-3.06

Polar Surface Area

142.703

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

41.38

References: we are preparing a list of scientific research reports with 0613-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0613-0017?
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What is the minimum amount of 0613-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0613-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0613-0017
  • 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 0613-0017 available by request