4478-3714 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-2,2,2-trifluoroacetamide

4478-3714 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-2,2,2-trifluoroacetamide
4478-3714 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-2,2,2-trifluoroacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-3714
N-[4-(azepane-1-sulfonyl)phenyl]-2,2,2-trifluoroacetamide

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

4478-3714

Molecular Formula

C14H17F3N2O3S (C14 H17 F3 N2 O3 S)

Compound Name

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

IUPAC name

N-[4-(azepane-1-sulfonyl)phenyl]-222-trifluoroacetamide

SMILES

O=C(C(F)(F)F)Nc(cc1)ccc1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C14H17F3N2O3S/c15-14(16,17)13(20)18-11-5-7-12(8-6-11)23(21,22)19-9-3-1-2-4-10-19/h5-8H,1-4,9-10H2,(H,18,20)

InChI Key

PLTSFYXDNLGOQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01596563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.36

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

2.876

Distribution Coefficient, logD

1.753

Water Solubility, LogSw

-3.57

Polar Surface Area

55.643

Acid Dissociation Constant (pKa)

6.31

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 4478-3714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-3714?
Check Price and Availability of 4478-3714, 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 4478-3714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-3714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-3714
  • 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 4478-3714 available by request