8018-7173 Screening compound: 2-[(2H-1,3-benzodioxol-5-yloxy)methyl]-5-phenyl-1,3,4-oxadiazole

8018-7173 Screening compound: 2-[(2H-1,3-benzodioxol-5-yloxy)methyl]-5-phenyl-1,3,4-oxadiazole
8018-7173 Screening compound: 2-[(2H-1,3-benzodioxol-5-yloxy)methyl]-5-phenyl-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7173
2-[(2H-1,3-benzodioxol-5-yloxy)methyl]-5-phenyl-1,3,4-oxadiazole

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

8018-7173

Molecular Formula

C16H12N2O4 (C16 H12 N2 O4)

Compound Name

2-[(2H-1,3-benzodioxol-5-yloxy)methyl]-5-phenyl-1,3,4-oxadiazole

IUPAC name

2-[(2H-13-benzodioxol-5-yloxy)methyl]-5-phenyl-134-oxadiazole

SMILES

C(c1nnc(-c2ccccc2)o1)Oc(cc1)cc2c1OCO2

InChI

InChI=1S/C16H12N2O4/c1-2-4-11(5-3-1)16-18-17-15(22-16)9-19-12-6-7-13-14(8-12)21-10-20-13/h1-8H,9-10H2

InChI Key

BTCXSTIAMYEVMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.28

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

2.784

Distribution Coefficient, logD

2.784

Water Solubility, LogSw

-3.16

Polar Surface Area

54.763

Acid Dissociation Constant (pKa)

31.43

Base Dissociation Constant (pKb)

-5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8018-7173 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-7173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7173?
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What is the minimum amount of 8018-7173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7173
  • 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 8018-7173 available by request