Y501-1898 Screening compound: 5-methyl-4-[(4-nitrophenoxy)methyl]-N-[3-(1H-pyrazol-1-yl)propyl]-3-isoxazolecarboxamide

Y501-1898 Screening compound: 5-methyl-4-[(4-nitrophenoxy)methyl]-N-[3-(1H-pyrazol-1-yl)propyl]-3-isoxazolecarboxamide
Y501-1898 Screening compound: 5-methyl-4-[(4-nitrophenoxy)methyl]-N-[3-(1H-pyrazol-1-yl)propyl]-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-1898
5-methyl-4-[(4-nitrophenoxy)methyl]-N-[3-(1H-pyrazol-1-yl)propyl]-3-isoxazolecarboxamide

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

Y501-1898

Molecular Formula

C18H19N5O5 (C18 H19 N5 O5)

Compound Name

5-methyl-4-[(4-nitrophenoxy)methyl]-N-[3-(1H-pyrazol-1-yl)propyl]-3-isoxazolecarboxamide

IUPAC name

5-methyl-4-[(4-nitrophenoxy)methyl]-N-[3-(1H-pyrazol-1-yl)propyl]-12-oxazole-3-carboxamide

SMILES

Cc1c(COc(cc2)ccc2[N+]([O-])=O)c(C(NCCCn2nccc2)=O)no1

InChI

InChI=1S/C18H19N5O5/c1-13-16(12-27-15-6-4-14(5-7-15)23(25)26)17(21-28-13)18(24)19-8-2-10-22-11-3-9-20-22/h3-7,9,11H,2,8,10,12H2,1H3,(H,19,24)

InChI Key

ZYHSWKVEFOWSTC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.550

Distribution Coefficient, logD

1.550

Water Solubility, LogSw

-2.15

Polar Surface Area

102.107

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

References: we are preparing a list of scientific research reports with Y501-1898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-1898?
Check Price and Availability of Y501-1898, 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 Y501-1898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-1898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-1898
  • 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 Y501-1898 available by request