N039-0028 Screening compound: (2S)-8,9-dimethoxy-2-(1-{[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy]methyl}tetrahydro-2H-pyran-2-yl)oxy]methyl}vinyl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one

N039-0028 Screening compound: (2S)-8,9-dimethoxy-2-(1-{[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy]methyl}tetrahydro-2H-pyran-2-yl)oxy]methyl}vinyl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one
N039-0028 Screening compound: (2S)-8,9-dimethoxy-2-(1-{[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy]methyl}tetrahydro-2H-pyran-2-yl)oxy]methyl}vinyl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N039-0028
(2S)-8,9-dimethoxy-2-(1-{[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy]methyl}tetrahydro-2H-pyran-2-yl)oxy]methyl}vinyl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one

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

N039-0028

Molecular Formula

C34H40O16 (C34 H40 O16)

Compound Name

(2S)-8,9-dimethoxy-2-(1-{[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy]methyl}tetrahydro-2H-pyran-2-yl)oxy]methyl}vinyl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one

IUPAC name

(6S)-1617-dimethoxy-6-{3-[(345-trihydroxy-6-{[(345-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]prop-1-en-2-yl}-2720-trioxapentacyclo[11.8.0.0^{311}.0^{48}.0^{1419}]henicosa-3810141618-hexaen-12-one

SMILES

COc(c(OC)c1)cc(C23)c1OCC3Oc(c(C1)c(cc3)OC1C(COC(C(C1O)O)OC(COC(C(C4O)O)OCC4O)C1O)=C)c3C2=O

InChI

InChI=1S/C34H40O16/c1-13(9-45-34-31(41)29(39)28(38)24(50-34)12-47-33-30(40)27(37)17(35)10-46-33)19-7-16-18(48-19)5-4-14-26(36)25-15-6-21(42-2)22(43-3)8-20(15)44-11-23(25)49-32(14)16/h4-6,8,17,19,23-25,27-31,33-35,37-41H,1,7,9-12H2,2-3H3/t17?,19-,23?,24?,25?,27?,28?,29?,30?,31?,33?,34?/m1/s1

InChI Key

CMQOKNQYLSMKJC-XNHPZVAHSA-N

MDL Number (MFCD)

MFCD01533841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

704.68

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

0.034

Distribution Coefficient, logD

0.034

Water Solubility, LogSw

-2.20

Polar Surface Area

178.251

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

12.00

Percent sp3 carbon bonding

55.90

N039-0028 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 N039-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N039-0028?
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What is the minimum amount of N039-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N039-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N039-0028
  • 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 N039-0028 available by request