L126-0499 Screening compound: 3-chloro-N-[(4-fluorophenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide

L126-0499 Screening compound: 3-chloro-N-[(4-fluorophenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide
L126-0499 Screening compound: 3-chloro-N-[(4-fluorophenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L126-0499
3-chloro-N-[(4-fluorophenyl)methyl]-N-[2-(piperazine-1-sulfonyl)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

L126-0499

Molecular Formula

C20H23ClFN3O3S (C20 H23 ClFN3 O3 S)

Compound Name

3-chloro-N-[(4-fluorophenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide

IUPAC name

3-chloro-N-[(4-fluorophenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide

SMILES

O=C(c1cccc(Cl)c1)N(CCS(N1CCNCC1)(=O)=O)Cc(cc1)ccc1F

InChI

InChI=1S/C20H23ClFN3O3S/c21-18-3-1-2-17(14-18)20(26)24(15-16-4-6-19(22)7-5-16)12-13-29(27,28)25-10-8-23-9-11-25/h1-7,14,23H,8-13,15H2

InChI Key

CCYXXGWOQACGNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27234197

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

439.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.765

Distribution Coefficient, logD

1.420

Water Solubility, LogSw

-2.96

Polar Surface Area

59.994

Acid Dissociation Constant (pKa)

21.97

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

L126-0499 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with L126-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L126-0499?
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What is the minimum amount of L126-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L126-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L126-0499
  • 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 L126-0499 available by request