0862-0012 Screening compound: [3,4-bis(acetyloxy)-5-acetamido-6-(nonyloxy)oxan-2-yl]methyl acetate

0862-0012 Screening compound: [3,4-bis(acetyloxy)-5-acetamido-6-(nonyloxy)oxan-2-yl]methyl acetate
0862-0012 Screening compound: [3,4-bis(acetyloxy)-5-acetamido-6-(nonyloxy)oxan-2-yl]methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0862-0012
[3,4-bis(acetyloxy)-5-acetamido-6-(nonyloxy)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

0862-0012

Molecular Formula

C23H39NO9 (C23 H39 NO9)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCCCCOC(C(C1OC(C)=O)NC(C)=O)OC(COC(C)=O)C1OC(C)=O

InChI

InChI=1S/C23H39NO9/c1-6-7-8-9-10-11-12-13-29-23-20(24-15(2)25)22(32-18(5)28)21(31-17(4)27)19(33-23)14-30-16(3)26/h19-23H,6-14H2,1-5H3,(H,24,25)

InChI Key

NNNCCZODQRUEHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01118804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.365

Distribution Coefficient, logD

3.365

Water Solubility, LogSw

-3.33

Polar Surface Area

103.553

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

82.60

0862-0012 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 0862-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0862-0012?
Check Price and Availability of 0862-0012, 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 0862-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0862-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0862-0012
  • 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 0862-0012 available by request