3381-0303 Screening compound: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(pyridine-3-carbonyl)piperazine

3381-0303 Screening compound: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(pyridine-3-carbonyl)piperazine
3381-0303 Screening compound: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(pyridine-3-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0303
1-[(5-bromo-2-methoxyphenyl)methyl]-4-(pyridine-3-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

3381-0303

Molecular Formula

C18H20BrN3O2 (C18 H20 BrN3 O2)

Compound Name

1-[(5-bromo-2-methoxyphenyl)methyl]-4-(pyridine-3-carbonyl)piperazine

IUPAC name

1-[(5-bromo-2-methoxyphenyl)methyl]-4-(pyridine-3-carbonyl)piperazine

SMILES

COc(cc1)c(CN(CC2)CCN2C(c2cnccc2)=O)cc1Br

InChI

InChI=1S/C18H20BrN3O2/c1-24-17-5-4-16(19)11-15(17)13-21-7-9-22(10-8-21)18(23)14-3-2-6-20-12-14/h2-6,11-12H,7-10,13H2,1H3

InChI Key

BLVSNGBZBMAAJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816493

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

390.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.904

Distribution Coefficient, logD

1.887

Water Solubility, LogSw

-1.92

Polar Surface Area

37.575

Acid Dissociation Constant (pKa)

28.02

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3381-0303 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3381-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0303?
Check Price and Availability of 3381-0303, 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 3381-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0303
  • 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 3381-0303 available by request