4478-7101 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-2-methylbenzamide

4478-7101 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-2-methylbenzamide
4478-7101 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-7101
N-[4-(azepane-1-sulfonyl)phenyl]-2-methylbenzamide

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

4478-7101

Molecular Formula

C20H24N2O3S (C20 H24 N2 O3 S)

Compound Name

N-[4-(azepane-1-sulfonyl)phenyl]-2-methylbenzamide

IUPAC name

N-[4-(azepane-1-sulfonyl)phenyl]-2-methylbenzamide

SMILES

Cc(cccc1)c1C(Nc(cc1)ccc1S(N1CCCCCC1)(=O)=O)=O

InChI

InChI=1S/C20H24N2O3S/c1-16-8-4-5-9-19(16)20(23)21-17-10-12-18(13-11-17)26(24,25)22-14-6-2-3-7-15-22/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,21,23)

InChI Key

YIXYYBRKYAVYTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01596566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.833

Distribution Coefficient, logD

3.773

Water Solubility, LogSw

-3.90

Polar Surface Area

55.372

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 4478-7101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-7101?
Check Price and Availability of 4478-7101, 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 4478-7101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-7101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-7101
  • 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 4478-7101 available by request