L586-1069 Screening compound: 5-(azepane-1-sulfonyl)-2-chloro-N-{[4-(dimethylamino)phenyl]methyl}benzamide

L586-1069 Screening compound: 5-(azepane-1-sulfonyl)-2-chloro-N-{[4-(dimethylamino)phenyl]methyl}benzamide
L586-1069 Screening compound: 5-(azepane-1-sulfonyl)-2-chloro-N-{[4-(dimethylamino)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L586-1069
5-(azepane-1-sulfonyl)-2-chloro-N-{[4-(dimethylamino)phenyl]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

L586-1069

Molecular Formula

C22H28ClN3O3S (C22 H28 ClN3 O3 S)

Compound Name

5-(azepane-1-sulfonyl)-2-chloro-N-{[4-(dimethylamino)phenyl]methyl}benzamide

IUPAC name

5-(azepane-1-sulfonyl)-2-chloro-N-{[4-(dimethylamino)phenyl]methyl}benzamide

SMILES

CN(C)c1ccc(CNC(c(cc(cc2)S(N3CCCCCC3)(=O)=O)c2Cl)=O)cc1

InChI

InChI=1S/C22H28ClN3O3S/c1-25(2)18-9-7-17(8-10-18)16-24-22(27)20-15-19(11-12-21(20)23)30(28,29)26-13-5-3-4-6-14-26/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,27)

InChI Key

QHJJBMRNXQEHCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15131342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.445

Distribution Coefficient, logD

4.429

Water Solubility, LogSw

-4.65

Polar Surface Area

59.498

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with L586-1069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L586-1069?
Check Price and Availability of L586-1069, 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 L586-1069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L586-1069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L586-1069
  • 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 L586-1069 available by request