N027-0007 Screening compound: 4,5-dihydroxy-2-methyl-6-[(3,4,5-trihydroxy-6-{[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]oxan-3-yl acetate

N027-0007 Screening compound: 4,5-dihydroxy-2-methyl-6-[(3,4,5-trihydroxy-6-{[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]oxan-3-yl acetate
N027-0007 Screening compound: 4,5-dihydroxy-2-methyl-6-[(3,4,5-trihydroxy-6-{[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]oxan-3-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound N027-0007
4,5-dihydroxy-2-methyl-6-[(3,4,5-trihydroxy-6-{[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]oxan-3-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

N027-0007

Molecular Formula

C31H36O16 (C31 H36 O16)

Compound Name

4,5-dihydroxy-2-methyl-6-[(3,4,5-trihydroxy-6-{[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]oxan-3-yl acetate

IUPAC name

45-dihydroxy-2-methyl-6-[(345-trihydroxy-6-{[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]oxan-3-yl acetate

SMILES

CC(C(C(C1O)O)OC(C)=O)OC1OCC(C(C(C1O)O)O)OC1Oc(cc(c1c2O)OC(c(cc3)ccc3OC)=CC1=O)c2OC

InChI

InChI=1S/C31H36O16/c1-12-28(44-13(2)32)25(37)27(39)30(43-12)42-11-20-22(34)24(36)26(38)31(47-20)46-19-10-18-21(23(35)29(19)41-4)16(33)9-17(45-18)14-5-7-15(40-3)8-6-14/h5-10,12,20,22,24-28,30-31,34-39H,11H2,1-4H3

InChI Key

PXJGTASAGKWQQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

664.62

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

1.396

Distribution Coefficient, logD

1.382

Water Solubility, LogSw

-2.13

Polar Surface Area

183.025

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

10.00

Percent sp3 carbon bonding

48.40

N027-0007 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Natural Compounds Library (353 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with N027-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N027-0007?
Check Price and Availability of N027-0007, 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 N027-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N027-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N027-0007
  • 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 N027-0007 available by request