8018-7463 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-{1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazol-5-yl}-1,2,4-oxadiazole

8018-7463 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-{1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazol-5-yl}-1,2,4-oxadiazole
8018-7463 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-{1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazol-5-yl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7463
3-(2H-1,3-benzodioxol-5-yl)-5-{1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazol-5-yl}-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

8018-7463

Molecular Formula

C20H15N5O5 (C20 H15 N5 O5)

Compound Name

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

IUPAC name

3-(2H-13-benzodioxol-5-yl)-5-{1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazol-5-yl}-124-oxadiazole

SMILES

Cc1ccc(Cn(c(-c2nc(-c(cc3)cc4c3OCO4)no2)c2)nc2[N+]([O-])=O)cc1

InChI

InChI=1S/C20H15N5O5/c1-12-2-4-13(5-3-12)10-24-15(9-18(22-24)25(26)27)20-21-19(23-30-20)14-6-7-16-17(8-14)29-11-28-16/h2-9H,10-11H2,1H3

InChI Key

YRTBKSCQHRIMJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.259

Distribution Coefficient, logD

4.259

Water Solubility, LogSw

-4.41

Polar Surface Area

94.563

Acid Dissociation Constant (pKa)

28.69

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

8018-7463 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-7463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7463?
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What is the minimum amount of 8018-7463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7463
  • 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 8018-7463 available by request