4664-1717 Screening compound: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)methanesulfonamide

4664-1717 Screening compound: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)methanesulfonamide
4664-1717 Screening compound: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4664-1717
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)methanesulfonamide

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

4664-1717

Molecular Formula

C17H26N2O5S (C17 H26 N2 O5 S)

Compound Name

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)methanesulfonamide

IUPAC name

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(25-dimethoxyphenyl)methanesulfonamide

SMILES

COc(cc1)cc(N(CC(N2CCCCCC2)=O)S(C)(=O)=O)c1OC

InChI

InChI=1S/C17H26N2O5S/c1-23-14-8-9-16(24-2)15(12-14)19(25(3,21)22)13-17(20)18-10-6-4-5-7-11-18/h8-9,12H,4-7,10-11,13H2,1-3H3

InChI Key

HGHZIKOICNTRCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02919909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.978

Distribution Coefficient, logD

1.978

Water Solubility, LogSw

-2.72

Polar Surface Area

63.153

Acid Dissociation Constant (pKa)

21.10

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

4664-1717 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4664-1717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4664-1717?
Check Price and Availability of 4664-1717, 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 4664-1717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4664-1717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4664-1717
  • 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 4664-1717 available by request