L586-1068 Screening compound: 5-(azepane-1-sulfonyl)-2-chloro-N-[(4-ethoxyphenyl)methyl]benzamide

L586-1068 Screening compound: 5-(azepane-1-sulfonyl)-2-chloro-N-[(4-ethoxyphenyl)methyl]benzamide
L586-1068 Screening compound: 5-(azepane-1-sulfonyl)-2-chloro-N-[(4-ethoxyphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L586-1068
5-(azepane-1-sulfonyl)-2-chloro-N-[(4-ethoxyphenyl)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

L586-1068

Molecular Formula

C22H27ClN2O4S (C22 H27 ClN2 O4 S)

Compound Name

5-(azepane-1-sulfonyl)-2-chloro-N-[(4-ethoxyphenyl)methyl]benzamide

IUPAC name

5-(azepane-1-sulfonyl)-2-chloro-N-[(4-ethoxyphenyl)methyl]benzamide

SMILES

CCOc1ccc(CNC(c(cc(cc2)S(N3CCCCCC3)(=O)=O)c2Cl)=O)cc1

InChI

InChI=1S/C22H27ClN2O4S/c1-2-29-18-9-7-17(8-10-18)16-24-22(26)20-15-19(11-12-21(20)23)30(27,28)25-13-5-3-4-6-14-25/h7-12,15H,2-6,13-14,16H2,1H3,(H,24,26)

InChI Key

OJDSRHRNYPLLQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09675545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.99

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

4.724

Distribution Coefficient, logD

4.724

Water Solubility, LogSw

-4.86

Polar Surface Area

63.817

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with L586-1068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L586-1068?
Check Price and Availability of L586-1068, 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 L586-1068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L586-1068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L586-1068
  • 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 L586-1068 available by request