8006-5644 Screening compound: [3,4,5-tris(acetyloxy)-6-isocyanatooxan-2-yl]methyl acetate

8006-5644 Screening compound: [3,4,5-tris(acetyloxy)-6-isocyanatooxan-2-yl]methyl acetate
8006-5644 Screening compound: [3,4,5-tris(acetyloxy)-6-isocyanatooxan-2-yl]methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5644
[3,4,5-tris(acetyloxy)-6-isocyanatooxan-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

8006-5644

Molecular Formula

C15H19NO10 (C15 H19 NO10)

Compound Name

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

IUPAC name

[(3R6R)-345-tris(acetyloxy)-6-isocyanatooxan-2-yl]methyl acetate

SMILES

CC(OCC([C@@H](C(C1OC(C)=O)OC(C)=O)OC(C)=O)O[C@@H]1N=C=O)=O

InChI

InChI=1S/C15H19NO10/c1-7(18)22-5-11-12(23-8(2)19)13(24-9(3)20)14(25-10(4)21)15(26-11)16-6-17/h11-15H,5H2,1-4H3/t11?,12-,13?,14?,15+/m1/s1

InChI Key

FLNZVZMQFATYNM-BYYAHTNTSA-N

MDL Number (MFCD)

MFCD01113262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.32

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.102

Distribution Coefficient, logD

-0.102

Water Solubility, LogSw

0.01

Polar Surface Area

115.065

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

-5.60

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

66.70

8006-5644 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8006-5644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5644?
Check Price and Availability of 8006-5644, 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 8006-5644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5644
  • 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 8006-5644 available by request