8019-0404 Screening compound: 3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(furan-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

8019-0404 Screening compound: 3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(furan-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
8019-0404 Screening compound: 3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(furan-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0404
3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(furan-2-yl)methyl]-1,2,4-oxadiazole-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

8019-0404

Molecular Formula

C12H10ClN5O3 (C12 H10 ClN5 O3)

Compound Name

3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(furan-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(furan-2-yl)methyl]-124-oxadiazole-5-carboxamide

SMILES

O=C(c1nc(Cn2ncc(Cl)c2)no1)NCc1ccco1

InChI

InChI=1S/C12H10ClN5O3/c13-8-4-15-18(6-8)7-10-16-12(21-17-10)11(19)14-5-9-2-1-3-20-9/h1-4,6H,5,7H2,(H,14,19)

InChI Key

LNVDMJVJBROKTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08092942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.7

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.335

Distribution Coefficient, logD

1.335

Water Solubility, LogSw

-2.39

Polar Surface Area

79.846

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8019-0404 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8019-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0404?
Check Price and Availability of 8019-0404, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8019-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0404
  • 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 8019-0404 available by request