4664-1530 Screening compound: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methylbenzene-1-sulfonamide

4664-1530 Screening compound: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methylbenzene-1-sulfonamide
4664-1530 Screening compound: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4664-1530
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methylbenzene-1-sulfonamide

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

4664-1530

Molecular Formula

C22H28N2O4S (C22 H28 N2 O4 S)

Compound Name

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methylbenzene-1-sulfonamide

IUPAC name

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(N(CC(N1CCCCCC1)=O)c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C22H28N2O4S/c1-18-7-13-21(14-8-18)29(26,27)24(19-9-11-20(28-2)12-10-19)17-22(25)23-15-5-3-4-6-16-23/h7-14H,3-6,15-17H2,1-2H3

InChI Key

IJXJQFYBRLBEDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03136359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.930

Distribution Coefficient, logD

3.930

Water Solubility, LogSw

-3.86

Polar Surface Area

56.060

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 4664-1530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4664-1530?
Check Price and Availability of 4664-1530, 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 4664-1530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4664-1530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4664-1530
  • 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 4664-1530 available by request