L126-0454 Screening compound: 2-fluoro-N~1~-(3-methoxybenzyl)-N~1~-[2-(piperazinosulfonyl)ethyl]benzamide

L126-0454 Screening compound: 2-fluoro-N~1~-(3-methoxybenzyl)-N~1~-[2-(piperazinosulfonyl)ethyl]benzamide
L126-0454 Screening compound: 2-fluoro-N~1~-(3-methoxybenzyl)-N~1~-[2-(piperazinosulfonyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L126-0454
2-fluoro-N~1~-(3-methoxybenzyl)-N~1~-[2-(piperazinosulfonyl)ethyl]benzamide

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

L126-0454

Molecular Formula

C21H26FN3O4S (C21 H26 FN3 O4 S)

Compound Name

2-fluoro-N~1~-(3-methoxybenzyl)-N~1~-[2-(piperazinosulfonyl)ethyl]benzamide

IUPAC name

n/a

SMILES

COc1cccc(CN(CCS(N2CCNCC2)(=O)=O)C(c(cccc2)c2F)=O)c1

InChI

InChI=1S/C21H26FN3O4S/c1-29-18-6-4-5-17(15-18)16-24(21(26)19-7-2-3-8-20(19)22)13-14-30(27,28)25-11-9-23-10-12-25/h2-8,15,23H,9-14,16H2,1H3

InChI Key

UNIWQYVHLCMAKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27234176

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.348

Distribution Coefficient, logD

1.003

Water Solubility, LogSw

-2.50

Polar Surface Area

67.537

Acid Dissociation Constant (pKa)

21.97

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with L126-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L126-0454?
Check Price and Availability of L126-0454, 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 L126-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L126-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L126-0454
  • 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 L126-0454 available by request