8019-6894 Screening compound: 5-[3-(6-chloro-4,7-dimethoxy-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol

8019-6894 Screening compound: 5-[3-(6-chloro-4,7-dimethoxy-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
8019-6894 Screening compound: 5-[3-(6-chloro-4,7-dimethoxy-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6894
5-[3-(6-chloro-4,7-dimethoxy-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-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

8019-6894

Molecular Formula

C18H15ClN2O7 (C18 H15 ClN2 O7)

Compound Name

5-[3-(6-chloro-4,7-dimethoxy-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol

IUPAC name

5-[3-(6-chloro-47-dimethoxy-2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]-2-methoxyphenol

SMILES

COc(ccc(-c1nc(-c(c(Cl)c(c2c3OCO2)OC)c3OC)no1)c1)c1O

InChI

InChI=1S/C18H15ClN2O7/c1-23-10-5-4-8(6-9(10)22)18-20-17(21-28-18)11-12(19)14(25-3)16-15(13(11)24-2)26-7-27-16/h4-6,22H,7H2,1-3H3

InChI Key

AHSIRZGCDQVPOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10039024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.78

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.891

Distribution Coefficient, logD

3.755

Water Solubility, LogSw

-4.48

Polar Surface Area

87.741

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8019-6894 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-6894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6894?
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What is the minimum amount of 8019-6894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6894
  • 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 8019-6894 available by request