8019-3623 Screening compound: N-[2-(2-methoxyphenyl)ethyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

8019-3623 Screening compound: N-[2-(2-methoxyphenyl)ethyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
8019-3623 Screening compound: N-[2-(2-methoxyphenyl)ethyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3623
N-[2-(2-methoxyphenyl)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

8019-3623

Molecular Formula

C16H16N6O5 (C16 H16 N6 O5)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CCNC(c2nc(Cn3ncc([N+]([O-])=O)c3)no2)=O)cccc1

InChI

InChI=1S/C16H16N6O5/c1-26-13-5-3-2-4-11(13)6-7-17-15(23)16-19-14(20-27-16)10-21-9-12(8-18-21)22(24)25/h2-5,8-9H,6-7,10H2,1H3,(H,17,23)

InChI Key

UGBRFNLKGINZPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08092762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.117

Distribution Coefficient, logD

1.117

Water Solubility, LogSw

-2.20

Polar Surface Area

112.950

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8019-3623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3623?
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What is the minimum amount of 8019-3623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3623
  • 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 8019-3623 available by request