L586-1081 Screening compound: 5-(azepane-1-sulfonyl)-2-chloro-N-[(3-fluorophenyl)methyl]benzamide

L586-1081 Screening compound: 5-(azepane-1-sulfonyl)-2-chloro-N-[(3-fluorophenyl)methyl]benzamide
L586-1081 Screening compound: 5-(azepane-1-sulfonyl)-2-chloro-N-[(3-fluorophenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L586-1081
5-(azepane-1-sulfonyl)-2-chloro-N-[(3-fluorophenyl)methyl]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

L586-1081

Molecular Formula

C20H22ClFN2O3S (C20 H22 ClFN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc(cc1)S(N2CCCCCC2)(=O)=O)c1Cl)NCc1cc(F)ccc1

InChI

InChI=1S/C20H22ClFN2O3S/c21-19-9-8-17(28(26,27)24-10-3-1-2-4-11-24)13-18(19)20(25)23-14-15-6-5-7-16(22)12-15/h5-9,12-13H,1-4,10-11,14H2,(H,23,25)

InChI Key

PAYHSADSXHMORA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15131348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.519

Distribution Coefficient, logD

4.518

Water Solubility, LogSw

-4.64

Polar Surface Area

56.694

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

L586-1081 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L586-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L586-1081?
Check Price and Availability of L586-1081, 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 L586-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L586-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L586-1081
  • 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 L586-1081 available by request