8017-5454 Screening compound: 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(pyridin-2-yl)ethyl]acetamide

8017-5454 Screening compound: 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(pyridin-2-yl)ethyl]acetamide
8017-5454 Screening compound: 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(pyridin-2-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5454
2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(pyridin-2-yl)ethyl]acetamide

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

8017-5454

Molecular Formula

C13H15N5O3 (C13 H15 N5 O3)

Compound Name

2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(pyridin-2-yl)ethyl]acetamide

IUPAC name

2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(pyridin-2-yl)ethyl]acetamide

SMILES

Cc1cc([N+]([O-])=O)nn1CC(NCCc1ncccc1)=O

InChI

InChI=1S/C13H15N5O3/c1-10-8-12(18(20)21)16-17(10)9-13(19)15-7-5-11-4-2-3-6-14-11/h2-4,6,8H,5,7,9H2,1H3,(H,15,19)

InChI Key

OAPYDFVXHZQSKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.115

Distribution Coefficient, logD

-0.120

Water Solubility, LogSw

-1.99

Polar Surface Area

80.868

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 8017-5454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5454?
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What is the minimum amount of 8017-5454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5454
  • 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 8017-5454 available by request