Y501-9077 Screening compound: N-[1-(3-methoxybenzyl)-1H-pyrazol-4-yl]-2-(4-nitro-1H-pyrazol-1-yl)propanamide

Y501-9077 Screening compound: N-[1-(3-methoxybenzyl)-1H-pyrazol-4-yl]-2-(4-nitro-1H-pyrazol-1-yl)propanamide

Chemical Structure Depiction of ChemDiv screening compound Y501-9077
N-[1-(3-methoxybenzyl)-1H-pyrazol-4-yl]-2-(4-nitro-1H-pyrazol-1-yl)propanamide

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

Y501-9077

Molecular Formula

C17H18N6O4 (C17 H18 N6 O4)

Compound Name

N-[1-(3-methoxybenzyl)-1H-pyrazol-4-yl]-2-(4-nitro-1H-pyrazol-1-yl)propanamide

IUPAC name

N-{1-[(3-methoxyphenyl)methyl]-1H-pyrazol-4-yl}-2-(4-nitro-1H-pyrazol-1-yl)propanamide

SMILES

CC(C(Nc1cn(Cc2cc(OC)ccc2)nc1)=O)n1ncc([N+]([O-])=O)c1

InChI

InChI=1S/C17H18N6O4/c1-12(22-11-15(8-19-22)23(25)26)17(24)20-14-7-18-21(10-14)9-13-4-3-5-16(6-13)27-2/h3-8,10-12H,9H2,1-2H3,(H,20,24)/t12-/m0/s1

InChI Key

HRNCTHMJINMWOF-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.231

Distribution Coefficient, logD

1.230

Water Solubility, LogSw

-2.26

Polar Surface Area

93.342

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.53

References: we are preparing a list of scientific research reports with Y501-9077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-9077?
Check Price and Availability of Y501-9077, 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 Y501-9077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-9077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-9077
  • 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 Y501-9077 available by request