E922-1213 Screening compound: N-(3-chloro-4-fluorophenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide

E922-1213 Screening compound: N-(3-chloro-4-fluorophenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide
E922-1213 Screening compound: N-(3-chloro-4-fluorophenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E922-1213
N-(3-chloro-4-fluorophenyl)-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

E922-1213

Molecular Formula

C21H19ClFN5O3 (C21 H19 ClFN5 O3)

Compound Name

N-(3-chloro-4-fluorophenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide

SMILES

[O-][N+](c(cc1)ccc1-n1ncc(C(Nc(cc2)cc(Cl)c2F)=O)c1C1CCNCC1)=O

InChI

InChI=1S/C21H19ClFN5O3/c22-18-11-14(1-6-19(18)23)26-21(29)17-12-25-27(20(17)13-7-9-24-10-8-13)15-2-4-16(5-3-15)28(30)31/h1-6,11-13,24H,7-10H2,(H,26,29)

InChI Key

CJQIIDRLKSHNLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928509

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

443.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.232

Distribution Coefficient, logD

-0.249

Water Solubility, LogSw

-3.92

Polar Surface Area

81.687

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

10.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with E922-1213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E922-1213?
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What is the minimum amount of E922-1213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E922-1213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E922-1213
  • 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 E922-1213 available by request