8017-8819 Screening compound: 3-(1,3-benzodioxol-5-yl)-5-[3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazole

8017-8819 Screening compound: 3-(1,3-benzodioxol-5-yl)-5-[3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazole
8017-8819 Screening compound: 3-(1,3-benzodioxol-5-yl)-5-[3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8819
3-(1,3-benzodioxol-5-yl)-5-[3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propyl]-1,2,4-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

8017-8819

Molecular Formula

C16H15N5O5 (C16 H15 N5 O5)

Compound Name

3-(1,3-benzodioxol-5-yl)-5-[3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazole

IUPAC name

3-(2H-13-benzodioxol-5-yl)-5-[3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propyl]-124-oxadiazole

SMILES

Cc1cc([N+]([O-])=O)nn1CCCc1nc(-c(cc2)cc3c2OCO3)no1

InChI

InChI=1S/C16H15N5O5/c1-10-7-14(21(22)23)18-20(10)6-2-3-15-17-16(19-26-15)11-4-5-12-13(8-11)25-9-24-12/h4-5,7-8H,2-3,6,9H2,1H3

InChI Key

USTVDOVRTKBVQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.497

Distribution Coefficient, logD

2.497

Water Solubility, LogSw

-2.61

Polar Surface Area

95.449

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

8017-8819 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8017-8819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8819?
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What is the minimum amount of 8017-8819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8819
  • 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 8017-8819 available by request