8017-6984 Screening compound: [3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl (4-chloro-3,5-dimethylphenyl) ether

8017-6984 Screening compound: [3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl (4-chloro-3,5-dimethylphenyl) ether
8017-6984 Screening compound: [3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl (4-chloro-3,5-dimethylphenyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6984
[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl (4-chloro-3,5-dimethylphenyl) ether

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

8017-6984

Molecular Formula

C18H15ClN2O4 (C18 H15 ClN2 O4)

Compound Name

[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl (4-chloro-3,5-dimethylphenyl) ether

IUPAC name

3-(2H-13-benzodioxol-5-yl)-5-[(4-chloro-35-dimethylphenoxy)methyl]-124-oxadiazole

SMILES

Cc1cc(OCc2nc(-c(cc3)cc4c3OCO4)no2)cc(C)c1Cl

InChI

InChI=1S/C18H15ClN2O4/c1-10-5-13(6-11(2)17(10)19)22-8-16-20-18(21-25-16)12-3-4-14-15(7-12)24-9-23-14/h3-7H,8-9H2,1-2H3

InChI Key

XFODIXUTRYXXHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.559

Distribution Coefficient, logD

5.559

Water Solubility, LogSw

-6.16

Polar Surface Area

55.924

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8017-6984 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 8017-6984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6984?
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What is the minimum amount of 8017-6984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6984
  • 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 8017-6984 available by request