8018-0764 Screening compound: N~5~-dibenzo[b,d]furan-3-yl-1-methyl-3-propyl-1H-pyrazole-5-carboxamide

8018-0764 Screening compound: N~5~-dibenzo[b,d]furan-3-yl-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
8018-0764 Screening compound: N~5~-dibenzo[b,d]furan-3-yl-1-methyl-3-propyl-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0764
N~5~-dibenzo[b,d]furan-3-yl-1-methyl-3-propyl-1H-pyrazole-5-carboxamide

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

8018-0764

Molecular Formula

C20H19N3O2 (C20 H19 N3 O2)

Compound Name

N~5~-dibenzo[b,d]furan-3-yl-1-methyl-3-propyl-1H-pyrazole-5-carboxamide

IUPAC name

1-methyl-N-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2461012-hexaen-5-yl}-3-propyl-1H-pyrazole-5-carboxamide

SMILES

CCCc1nn(C)c(C(Nc(cc2)cc3c2c(cccc2)c2o3)=O)c1

InChI

InChI=1S/C20H19N3O2/c1-3-6-14-11-17(23(2)22-14)20(24)21-13-9-10-16-15-7-4-5-8-18(15)25-19(16)12-13/h4-5,7-12H,3,6H2,1-2H3,(H,21,24)

InChI Key

HOIGDBXXXNTCRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.937

Distribution Coefficient, logD

4.937

Water Solubility, LogSw

-4.81

Polar Surface Area

45.256

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8018-0764 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

STING Agonist Library (5895 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-0764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0764?
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What is the minimum amount of 8018-0764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0764
  • 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 8018-0764 available by request