E822-2168 Screening compound: ethyl 1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-3-carboxylate

E822-2168 Screening compound: ethyl 1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-3-carboxylate
E822-2168 Screening compound: ethyl 1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E822-2168
ethyl 1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-3-carboxylate

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

E822-2168

Molecular Formula

C18H21N3O3 (C18 H21 N3 O3)

Compound Name

ethyl 1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1cc(-c2ccccc2)n[nH]1)=O)=O

InChI

InChI=1S/C18H21N3O3/c1-2-24-18(23)14-9-6-10-21(12-14)17(22)16-11-15(19-20-16)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H,19,20)/t14-/m0/s1

InChI Key

VORVDHYHATUQTC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14920383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.920

Distribution Coefficient, logD

2.919

Water Solubility, LogSw

-3.24

Polar Surface Area

60.064

Acid Dissociation Constant (pKa)

7.85

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

E822-2168 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E822-2168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E822-2168?
Check Price and Availability of E822-2168, 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 E822-2168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E822-2168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E822-2168
  • 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 E822-2168 available by request