4567-0310 Screening compound: N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(4-bromophenyl)methyl]benzenesulfonamide

4567-0310 Screening compound: N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(4-bromophenyl)methyl]benzenesulfonamide
4567-0310 Screening compound: N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(4-bromophenyl)methyl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4567-0310
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(4-bromophenyl)methyl]benzenesulfonamide

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

4567-0310

Molecular Formula

C21H25BrN2O3S (C21 H25 BrN2 O3 S)

Compound Name

N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(4-bromophenyl)methyl]benzenesulfonamide

IUPAC name

N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(4-bromophenyl)methyl]benzenesulfonamide

SMILES

O=C(CN(Cc(cc1)ccc1Br)S(c1ccccc1)(=O)=O)N1CCCCCC1

InChI

InChI=1S/C21H25BrN2O3S/c22-19-12-10-18(11-13-19)16-24(28(26,27)20-8-4-3-5-9-20)17-21(25)23-14-6-1-2-7-15-23/h3-5,8-13H,1-2,6-7,14-17H2

InChI Key

KCEDOCUCZSKFBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03141293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.283

Distribution Coefficient, logD

4.283

Water Solubility, LogSw

-4.13

Polar Surface Area

48.066

Acid Dissociation Constant (pKa)

21.02

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

4567-0310 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 4567-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4567-0310?
Check Price and Availability of 4567-0310, 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 4567-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4567-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4567-0310
  • 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 4567-0310 available by request