8020-3458 Screening compound: 5-[5-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]-2-methoxyphenol

8020-3458 Screening compound: 5-[5-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]-2-methoxyphenol
8020-3458 Screening compound: 5-[5-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]-2-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3458
5-[5-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]-2-methoxyphenol

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

8020-3458

Molecular Formula

C18H17N3O6 (C18 H17 N3 O6)

Compound Name

5-[5-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]-2-methoxyphenol

IUPAC name

5-[5-(47-dimethoxy-2H-13-benzodioxol-5-yl)-4H-124-triazol-3-yl]-2-methoxyphenol

SMILES

COc(cc1-c2nnc(-c(cc3)cc(O)c3OC)[nH]2)c2OCOc2c1OC

InChI

InChI=1S/C18H17N3O6/c1-23-12-5-4-9(6-11(12)22)17-19-18(21-20-17)10-7-13(24-2)15-16(14(10)25-3)27-8-26-15/h4-7,22H,8H2,1-3H3,(H,19,20,21)

InChI Key

YPDKEICMYFAYCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26097752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.787

Distribution Coefficient, logD

2.552

Water Solubility, LogSw

-3.29

Polar Surface Area

89.762

Acid Dissociation Constant (pKa)

3.04

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8020-3458 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8020-3458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3458?
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What is the minimum amount of 8020-3458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3458
  • 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 8020-3458 available by request