3701-0286 Screening compound: 1-[(3-bromophenyl)methyl]-4-(3,5-dimethoxybenzoyl)piperazine

3701-0286 Screening compound: 1-[(3-bromophenyl)methyl]-4-(3,5-dimethoxybenzoyl)piperazine
3701-0286 Screening compound: 1-[(3-bromophenyl)methyl]-4-(3,5-dimethoxybenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3701-0286
1-[(3-bromophenyl)methyl]-4-(3,5-dimethoxybenzoyl)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

3701-0286

Molecular Formula

C20H23BrN2O3 (C20 H23 BrN2 O3)

Compound Name

1-[(3-bromophenyl)methyl]-4-(3,5-dimethoxybenzoyl)piperazine

IUPAC name

1-[(3-bromophenyl)methyl]-4-(35-dimethoxybenzoyl)piperazine

SMILES

COc1cc(C(N2CCN(Cc3cccc(Br)c3)CC2)=O)cc(OC)c1

InChI

InChI=1S/C20H23BrN2O3/c1-25-18-11-16(12-19(13-18)26-2)20(24)23-8-6-22(7-9-23)14-15-4-3-5-17(21)10-15/h3-5,10-13H,6-9,14H2,1-2H3

InChI Key

SACCPERDIALFMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02105658

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

419.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.329

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-3.51

Polar Surface Area

35.515

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

3701-0286 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Autophagy-Targeted Library (4564 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 3701-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3701-0286?
Check Price and Availability of 3701-0286, 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 3701-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3701-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3701-0286
  • 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 3701-0286 available by request