4964-1550 Screening compound: [4-(4-methoxybenzyl)piperazino](2-thienyl)methanone

4964-1550 Screening compound: [4-(4-methoxybenzyl)piperazino](2-thienyl)methanone
4964-1550 Screening compound: [4-(4-methoxybenzyl)piperazino](2-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-1550
[4-(4-methoxybenzyl)piperazino](2-thienyl)methanone

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

4964-1550

Molecular Formula

C17H20N2O2S (C17 H20 N2 O2 S)

Compound Name

[4-(4-methoxybenzyl)piperazino](2-thienyl)methanone

IUPAC name

1-[(4-methoxyphenyl)methyl]-4-(thiophene-2-carbonyl)piperazine

SMILES

COc1ccc(CN(CC2)CCN2C(c2cccs2)=O)cc1

InChI

InChI=1S/C17H20N2O2S/c1-21-15-6-4-14(5-7-15)13-18-8-10-19(11-9-18)17(20)16-3-2-12-22-16/h2-7,12H,8-11,13H2,1H3

InChI Key

IDOCAFDEDCINIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02731227

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

316.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.537

Distribution Coefficient, logD

2.529

Water Solubility, LogSw

-2.50

Polar Surface Area

28.989

Acid Dissociation Constant (pKa)

28.69

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

4964-1550 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4964-1550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-1550?
Check Price and Availability of 4964-1550, 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 4964-1550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-1550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-1550
  • 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 4964-1550 available by request