L586-0183 Screening compound: 2-chloro-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-5-(pyrrolidine-1-sulfonyl)benzamide

L586-0183 Screening compound: 2-chloro-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-5-(pyrrolidine-1-sulfonyl)benzamide
L586-0183 Screening compound: 2-chloro-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-5-(pyrrolidine-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L586-0183
2-chloro-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-5-(pyrrolidine-1-sulfonyl)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

L586-0183

Molecular Formula

C23H28ClFN4O3S (C23 H28 ClFN4 O3 S)

Compound Name

2-chloro-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-5-(pyrrolidine-1-sulfonyl)benzamide

IUPAC name

2-chloro-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-5-(pyrrolidine-1-sulfonyl)benzamide

SMILES

O=C(c(cc(cc1)S(N2CCCC2)(=O)=O)c1Cl)NCCN(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C23H28ClFN4O3S/c24-20-8-7-18(33(31,32)29-10-3-4-11-29)17-19(20)23(30)26-9-12-27-13-15-28(16-14-27)22-6-2-1-5-21(22)25/h1-2,5-8,17H,3-4,9-16H2,(H,26,30)

InChI Key

MSNHJGYMJKBGRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15131215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.510

Distribution Coefficient, logD

3.500

Water Solubility, LogSw

-4.03

Polar Surface Area

63.512

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

L586-0183 in Drug Discovery

Included in Screening Libraries

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

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 L586-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L586-0183?
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What is the minimum amount of L586-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L586-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L586-0183
  • 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 L586-0183 available by request