0831-0934 Screening compound: [3,4,5-tris(acetyloxy)-6-{4-[2-(4-fluorophenoxy)acetyl]-3-hydroxyphenoxy}oxan-2-yl]methyl acetate

0831-0934 Screening compound: [3,4,5-tris(acetyloxy)-6-{4-[2-(4-fluorophenoxy)acetyl]-3-hydroxyphenoxy}oxan-2-yl]methyl acetate
0831-0934 Screening compound: [3,4,5-tris(acetyloxy)-6-{4-[2-(4-fluorophenoxy)acetyl]-3-hydroxyphenoxy}oxan-2-yl]methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-0934
[3,4,5-tris(acetyloxy)-6-{4-[2-(4-fluorophenoxy)acetyl]-3-hydroxyphenoxy}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

0831-0934

Molecular Formula

C28H29FO13 (C28 H29 FO13)

Compound Name

[3,4,5-tris(acetyloxy)-6-{4-[2-(4-fluorophenoxy)acetyl]-3-hydroxyphenoxy}oxan-2-yl]methyl acetate

IUPAC name

[345-tris(acetyloxy)-6-{4-[2-(4-fluorophenoxy)acetyl]-3-hydroxyphenoxy}oxan-2-yl]methyl acetate

SMILES

CC(OCC(C(C(C1OC(C)=O)OC(C)=O)OC(C)=O)OC1Oc(cc1)cc(O)c1C(COc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C28H29FO13/c1-14(30)36-13-24-25(38-15(2)31)26(39-16(3)32)27(40-17(4)33)28(42-24)41-20-9-10-21(22(34)11-20)23(35)12-37-19-7-5-18(29)6-8-19/h5-11,24-28,34H,12-13H2,1-4H3

InChI Key

FHAFYTMDIMBRQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00525540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.53

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.086

Distribution Coefficient, logD

3.068

Water Solubility, LogSw

-3.01

Polar Surface Area

135.159

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

39.30

0831-0934 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0831-0934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-0934?
Check Price and Availability of 0831-0934, 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 0831-0934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0934
  • 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 0831-0934 available by request