E614-0128 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine

E614-0128 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine
E614-0128 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E614-0128
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine

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

E614-0128

Molecular Formula

C22H22N4O3 (C22 H22 N4 O3)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine

SMILES

O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(Cc(cc2)cc3c2OCO3)CC1

InChI

InChI=1S/C22H22N4O3/c27-22(19-13-18(23-24-19)17-4-2-1-3-5-17)26-10-8-25(9-11-26)14-16-6-7-20-21(12-16)29-15-28-20/h1-7,12-13H,8-11,14-15H2,(H,23,24)

InChI Key

PXFSNQRFZPHBBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14904364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.159

Distribution Coefficient, logD

2.966

Water Solubility, LogSw

-3.23

Polar Surface Area

60.032

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E614-0128 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E614-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E614-0128?
Check Price and Availability of E614-0128, 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 E614-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E614-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E614-0128
  • 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 E614-0128 available by request