Y501-5830 Screening compound: N-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide

Y501-5830 Screening compound: N-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide
Y501-5830 Screening compound: N-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-5830
N-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide

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

Y501-5830

Molecular Formula

C22H23ClN4O4 (C22 H23 ClN4 O4)

Compound Name

N-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide

IUPAC name

N-[3-(4-chloro-35-dimethyl-1H-pyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide

SMILES

Cc(n(CCCNC(c1cc(COc(cc2)ccc2[N+]([O-])=O)ccc1)=O)nc1C)c1Cl

InChI

InChI=1S/C22H23ClN4O4/c1-15-21(23)16(2)26(25-15)12-4-11-24-22(28)18-6-3-5-17(13-18)14-31-20-9-7-19(8-10-20)27(29)30/h3,5-10,13H,4,11-12,14H2,1-2H3,(H,24,28)

InChI Key

ZKIAOYOUEUIHJL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.522

Distribution Coefficient, logD

3.522

Water Solubility, LogSw

-4.30

Polar Surface Area

79.634

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

References: we are preparing a list of scientific research reports with Y501-5830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-5830?
Check Price and Availability of Y501-5830, 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 Y501-5830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-5830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-5830
  • 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 Y501-5830 available by request