N005-0020 Screening compound: {3-[4-(acetyloxy)-3-methoxyphenyl]-6-[3,5,7-tris(acetyloxy)-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl acetate

N005-0020 Screening compound: {3-[4-(acetyloxy)-3-methoxyphenyl]-6-[3,5,7-tris(acetyloxy)-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl acetate
N005-0020 Screening compound: {3-[4-(acetyloxy)-3-methoxyphenyl]-6-[3,5,7-tris(acetyloxy)-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound N005-0020
{3-[4-(acetyloxy)-3-methoxyphenyl]-6-[3,5,7-tris(acetyloxy)-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]-2,3-dihydro-1,4-benzodioxin-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

N005-0020

Molecular Formula

C35H32O15 (C35 H32 O15)

Compound Name

{3-[4-(acetyloxy)-3-methoxyphenyl]-6-[3,5,7-tris(acetyloxy)-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl acetate

IUPAC name

[(2R)-3-[4-(acetyloxy)-3-methoxyphenyl]-6-[(2R)-357-tris(acetyloxy)-4-oxo-34-dihydro-2H-1-benzopyran-2-yl]-23-dihydro-14-benzodioxin-2-yl]methyl acetate

SMILES

CC(OC[C@H]1Oc(ccc([C@H](C(C2=O)OC(C)=O)Oc3c2c(OC(C)=O)cc(OC(C)=O)c3)c2)c2OC1c(cc1)cc(OC)c1OC(C)=O)=O

InChI

InChI=1S/C35H32O15/c1-16(36)43-15-30-33(21-7-9-24(45-18(3)38)26(11-21)42-6)49-27-12-22(8-10-25(27)48-30)34-35(47-20(5)40)32(41)31-28(46-19(4)39)13-23(44-17(2)37)14-29(31)50-34/h7-14,30,33-35H,15H2,1-6H3/t30-,33?,34-,35?/m0/s1

InChI Key

WQNWIUDROMWSFM-LQOANXQBSA-N

MDL Number (MFCD)

MFCD00808458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

692.63

Hydrogen Bond Acceptors Count

21.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

2.384

Distribution Coefficient, logD

2.384

Water Solubility, LogSw

-2.73

Polar Surface Area

147.413

Acid Dissociation Constant (pKa)

20.39

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

31.40

N005-0020 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with N005-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N005-0020?
Check Price and Availability of N005-0020, 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 N005-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N005-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N005-0020
  • 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 N005-0020 available by request