8019-4404 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

8019-4404 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
8019-4404 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4404
N-[2-(4-chlorophenyl)ethyl]-3-[(4-nitro-1H-pyrazol-1-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

8019-4404

Molecular Formula

C15H13ClN6O4 (C15 H13 ClN6 O4)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-124-oxadiazole-5-carboxamide

SMILES

[O-][N+](c1cn(Cc2noc(C(NCCc(cc3)ccc3Cl)=O)n2)nc1)=O

InChI

InChI=1S/C15H13ClN6O4/c16-11-3-1-10(2-4-11)5-6-17-14(23)15-19-13(20-26-15)9-21-8-12(7-18-21)22(24)25/h1-4,7-8H,5-6,9H2,(H,17,23)

InChI Key

LYEPRLBORZSAME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08092760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.76

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.426

Distribution Coefficient, logD

1.426

Water Solubility, LogSw

-2.72

Polar Surface Area

105.320

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8019-4404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4404?
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What is the minimum amount of 8019-4404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4404
  • 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 8019-4404 available by request