E822-0089 Screening compound: 3-(4-bromophenyl)-N-(2-phenylethyl)-1H-pyrazole-5-carboxamide

E822-0089 Screening compound: 3-(4-bromophenyl)-N-(2-phenylethyl)-1H-pyrazole-5-carboxamide
E822-0089 Screening compound: 3-(4-bromophenyl)-N-(2-phenylethyl)-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E822-0089
3-(4-bromophenyl)-N-(2-phenylethyl)-1H-pyrazole-5-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

E822-0089

Molecular Formula

C18H16BrN3O (C18 H16 BrN3 O)

Compound Name

3-(4-bromophenyl)-N-(2-phenylethyl)-1H-pyrazole-5-carboxamide

IUPAC name

3-(4-bromophenyl)-N-(2-phenylethyl)-1H-pyrazole-5-carboxamide

SMILES

O=C(c1cc(-c(cc2)ccc2Br)n[nH]1)NCCc1ccccc1

InChI

InChI=1S/C18H16BrN3O/c19-15-8-6-14(7-9-15)16-12-17(22-21-16)18(23)20-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,23)(H,21,22)

InChI Key

LJYPFZWAYSIVLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.225

Distribution Coefficient, logD

4.225

Water Solubility, LogSw

-4.45

Polar Surface Area

46.983

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E822-0089 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E822-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E822-0089?
Check Price and Availability of E822-0089, 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 E822-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E822-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E822-0089
  • 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 E822-0089 available by request