L586-0918 Screening compound: 5-(azepane-1-sulfonyl)-2-chloro-N-(3-fluorophenyl)benzamide

L586-0918 Screening compound: 5-(azepane-1-sulfonyl)-2-chloro-N-(3-fluorophenyl)benzamide
L586-0918 Screening compound: 5-(azepane-1-sulfonyl)-2-chloro-N-(3-fluorophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L586-0918
5-(azepane-1-sulfonyl)-2-chloro-N-(3-fluorophenyl)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

L586-0918

Molecular Formula

C19H20ClFN2O3S (C19 H20 ClFN2 O3 S)

Compound Name

5-(azepane-1-sulfonyl)-2-chloro-N-(3-fluorophenyl)benzamide

IUPAC name

5-(azepane-1-sulfonyl)-2-chloro-N-(3-fluorophenyl)benzamide

SMILES

O=C(c(cc(cc1)S(N2CCCCCC2)(=O)=O)c1Cl)Nc1cc(F)ccc1

InChI

InChI=1S/C19H20ClFN2O3S/c20-18-9-8-16(27(25,26)23-10-3-1-2-4-11-23)13-17(18)19(24)22-15-7-5-6-14(21)12-15/h5-9,12-13H,1-4,10-11H2,(H,22,24)

InChI Key

IRKYFVDGLJXZPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15131294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.544

Distribution Coefficient, logD

4.379

Water Solubility, LogSw

-4.66

Polar Surface Area

55.372

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

-3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

L586-0918 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with L586-0918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L586-0918?
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What is the minimum amount of L586-0918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L586-0918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L586-0918
  • 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 L586-0918 available by request