E922-1239 Screening compound: N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide

E922-1239 Screening compound: N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide
E922-1239 Screening compound: N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E922-1239
N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide

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

E922-1239

Molecular Formula

C22H22ClN5O3 (C22 H22 ClN5 O3)

Compound Name

N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide

IUPAC name

N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide

SMILES

[O-][N+](c(cc1)ccc1-n1ncc(C(NCc2cccc(Cl)c2)=O)c1C1CCNCC1)=O

InChI

InChI=1S/C22H22ClN5O3/c23-17-3-1-2-15(12-17)13-25-22(29)20-14-26-27(21(20)16-8-10-24-11-9-16)18-4-6-19(7-5-18)28(30)31/h1-7,12,14,16,24H,8-11,13H2,(H,25,29)

InChI Key

PRXJTQLVGSSWCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928519

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

439.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.163

Distribution Coefficient, logD

-0.318

Water Solubility, LogSw

-3.81

Polar Surface Area

83.009

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

10.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with E922-1239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E922-1239?
Check Price and Availability of E922-1239, 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 E922-1239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E922-1239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E922-1239
  • 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 E922-1239 available by request