Y504-9031 Screening compound: 1-[(4-ethylphenoxy)methyl]-4-nitro-1H-pyrazole

Y504-9031 Screening compound: 1-[(4-ethylphenoxy)methyl]-4-nitro-1H-pyrazole
Y504-9031 Screening compound: 1-[(4-ethylphenoxy)methyl]-4-nitro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-9031
1-[(4-ethylphenoxy)methyl]-4-nitro-1H-pyrazole

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

Y504-9031

Molecular Formula

C12H13N3O3 (C12 H13 N3 O3)

Compound Name

1-[(4-ethylphenoxy)methyl]-4-nitro-1H-pyrazole

IUPAC name

1-[(4-ethylphenoxy)methyl]-4-nitro-1H-pyrazole

SMILES

CCc(cc1)ccc1OCn1ncc([N+]([O-])=O)c1

InChI

InChI=1S/C12H13N3O3/c1-2-10-3-5-12(6-4-10)18-9-14-8-11(7-13-14)15(16)17/h3-8H,2,9H2,1H3

InChI Key

YLZCVHQAVLXTET-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.891

Distribution Coefficient, logD

2.891

Water Solubility, LogSw

-3.12

Polar Surface Area

56.100

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with Y504-9031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-9031?
Check Price and Availability of Y504-9031, 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 Y504-9031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-9031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-9031
  • 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 Y504-9031 available by request