8017-5453 Screening compound: 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[(pyridin-4-yl)methyl]acetamide

8017-5453 Screening compound: 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[(pyridin-4-yl)methyl]acetamide
8017-5453 Screening compound: 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[(pyridin-4-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5453
2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[(pyridin-4-yl)methyl]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

8017-5453

Molecular Formula

C12H13N5O3 (C12 H13 N5 O3)

Compound Name

2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[(pyridin-4-yl)methyl]acetamide

IUPAC name

2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[(pyridin-4-yl)methyl]acetamide

SMILES

Cc1cc([N+]([O-])=O)nn1CC(NCc1ccncc1)=O

InChI

InChI=1S/C12H13N5O3/c1-9-6-11(17(19)20)15-16(9)8-12(18)14-7-10-2-4-13-5-3-10/h2-6H,7-8H2,1H3,(H,14,18)

InChI Key

OKIJQAZPLBIJAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.338

Distribution Coefficient, logD

-0.341

Water Solubility, LogSw

-1.52

Polar Surface Area

80.912

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8017-5453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5453?
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What is the minimum amount of 8017-5453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5453
  • 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 8017-5453 available by request