E822-0030 Screening compound: 3-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide

E822-0030 Screening compound: 3-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
E822-0030 Screening compound: 3-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E822-0030
3-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-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

E822-0030

Molecular Formula

C17H13BrClN3O (C17 H13 BrClN3 O)

Compound Name

3-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide

IUPAC name

3-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide

SMILES

O=C(c1cc(-c(cc2)ccc2Br)n[nH]1)NCc(cccc1)c1Cl

InChI

InChI=1S/C17H13BrClN3O/c18-13-7-5-11(6-8-13)15-9-16(22-21-15)17(23)20-10-12-3-1-2-4-14(12)19/h1-9H,10H2,(H,20,23)(H,21,22)

InChI Key

ASQJBNOVRJIGKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.67

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.073

Distribution Coefficient, logD

5.073

Water Solubility, LogSw

-5.56

Polar Surface Area

47.142

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

E822-0030 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E822-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E822-0030?
Check Price and Availability of E822-0030, 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 E822-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E822-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E822-0030
  • 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 E822-0030 available by request