8018-1976 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-(1-benzyl-3-nitro-1H-pyrazol-5-yl)-1,2,4-oxadiazole

8018-1976 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-(1-benzyl-3-nitro-1H-pyrazol-5-yl)-1,2,4-oxadiazole
8018-1976 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-(1-benzyl-3-nitro-1H-pyrazol-5-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1976
3-(2H-1,3-benzodioxol-5-yl)-5-(1-benzyl-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

8018-1976

Molecular Formula

C19H13N5O5 (C19 H13 N5 O5)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-5-(1-benzyl-3-nitro-1H-pyrazol-5-yl)-1,2,4-oxadiazole

IUPAC name

3-(2H-13-benzodioxol-5-yl)-5-(1-benzyl-3-nitro-1H-pyrazol-5-yl)-124-oxadiazole

SMILES

[O-][N+](c1nn(Cc2ccccc2)c(-c2nc(-c(cc3)cc4c3OCO4)no2)c1)=O

InChI

InChI=1S/C19H13N5O5/c25-24(26)17-9-14(23(21-17)10-12-4-2-1-3-5-12)19-20-18(22-29-19)13-6-7-15-16(8-13)28-11-27-15/h1-9H,10-11H2

InChI Key

OYIAITLQBGQPSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.34

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

3.835

Distribution Coefficient, logD

3.835

Water Solubility, LogSw

-4.24

Polar Surface Area

94.563

Acid Dissociation Constant (pKa)

28.69

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

8018-1976 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 8018-1976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1976?
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What is the minimum amount of 8018-1976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1976
  • 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 8018-1976 available by request