5102-0138 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-2-(4-bromo-3-methylphenoxy)acetamide

5102-0138 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-2-(4-bromo-3-methylphenoxy)acetamide
5102-0138 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-2-(4-bromo-3-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5102-0138
N-[4-(azepane-1-sulfonyl)phenyl]-2-(4-bromo-3-methylphenoxy)acetamide

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

5102-0138

Molecular Formula

C21H25BrN2O4S (C21 H25 BrN2 O4 S)

Compound Name

N-[4-(azepane-1-sulfonyl)phenyl]-2-(4-bromo-3-methylphenoxy)acetamide

IUPAC name

N-[4-(azepane-1-sulfonyl)phenyl]-2-(4-bromo-3-methylphenoxy)acetamide

SMILES

Cc(cc(cc1)OCC(Nc(cc2)ccc2S(N2CCCCCC2)(=O)=O)=O)c1Br

InChI

InChI=1S/C21H25BrN2O4S/c1-16-14-18(8-11-20(16)22)28-15-21(25)23-17-6-9-19(10-7-17)29(26,27)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13,15H2,1H3,(H,23,25)

InChI Key

QWLQVEZOLTZBMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03168152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.872

Distribution Coefficient, logD

4.871

Water Solubility, LogSw

-4.55

Polar Surface Area

62.657

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 5102-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5102-0138?
Check Price and Availability of 5102-0138, 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 5102-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5102-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5102-0138
  • 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 5102-0138 available by request