E687-0344 Screening compound: 1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]-4-phenylmethanesulfonylpiperazine

E687-0344 Screening compound: 1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]-4-phenylmethanesulfonylpiperazine
E687-0344 Screening compound: 1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]-4-phenylmethanesulfonylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E687-0344
1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]-4-phenylmethanesulfonylpiperazine

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

E687-0344

Molecular Formula

C21H21BrN4O3S (C21 H21 BrN4 O3 S)

Compound Name

1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]-4-phenylmethanesulfonylpiperazine

IUPAC name

1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]-4-phenylmethanesulfonylpiperazine

SMILES

O=C(c1cc(-c(cc2)ccc2Br)n[nH]1)N(CC1)CCN1S(Cc1ccccc1)(=O)=O

InChI

InChI=1S/C21H21BrN4O3S/c22-18-8-6-17(7-9-18)19-14-20(24-23-19)21(27)25-10-12-26(13-11-25)30(28,29)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,23,24)

InChI Key

PZFLMQSJHYJLLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.572

Distribution Coefficient, logD

3.572

Water Solubility, LogSw

-3.81

Polar Surface Area

70.790

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E687-0344 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E687-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E687-0344?
Check Price and Availability of E687-0344, 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 E687-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E687-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E687-0344
  • 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 E687-0344 available by request