8020-1459 Screening compound: 9-(6,7-dimethoxy-1,3-benzodioxol-5-yl)[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(6H)-one

8020-1459 Screening compound: 9-(6,7-dimethoxy-1,3-benzodioxol-5-yl)[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(6H)-one
8020-1459 Screening compound: 9-(6,7-dimethoxy-1,3-benzodioxol-5-yl)[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1459
9-(6,7-dimethoxy-1,3-benzodioxol-5-yl)[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(6H)-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

8020-1459

Molecular Formula

C21H15NO8 (C21 H15 NO8)

Compound Name

9-(6,7-dimethoxy-1,3-benzodioxol-5-yl)[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(6H)-one

IUPAC name

8-(67-dimethoxy-2H-13-benzodioxol-5-yl)-51214-trioxa-2-azatetracyclo[7.7.0.0^{37}.0^{1115}]hexadeca-1(16)27911(15)-pentaen-6-one

SMILES

COc1c2OCOc2cc(-c(c(c(nc2CO3)c4)cc5c4OCO5)c2C3=O)c1OC

InChI

InChI=1S/C21H15NO8/c1-24-18-10(4-15-19(20(18)25-2)30-8-29-15)16-9-3-13-14(28-7-27-13)5-11(9)22-12-6-26-21(23)17(12)16/h3-5H,6-8H2,1-2H3

InChI Key

GJTXYZXHNDNJAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.496

Distribution Coefficient, logD

3.496

Water Solubility, LogSw

-3.94

Polar Surface Area

81.720

Acid Dissociation Constant (pKa)

27.44

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

8020-1459 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8020-1459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1459?
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What is the minimum amount of 8020-1459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1459
  • 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 8020-1459 available by request