5102-0141 Screening compound: 2-(4-bromo-3-methylphenoxy)-N-[4-(piperidine-1-sulfonyl)phenyl]acetamide

5102-0141 Screening compound: 2-(4-bromo-3-methylphenoxy)-N-[4-(piperidine-1-sulfonyl)phenyl]acetamide
5102-0141 Screening compound: 2-(4-bromo-3-methylphenoxy)-N-[4-(piperidine-1-sulfonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5102-0141
2-(4-bromo-3-methylphenoxy)-N-[4-(piperidine-1-sulfonyl)phenyl]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

5102-0141

Molecular Formula

C20H23BrN2O4S (C20 H23 BrN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)OCC(Nc(cc2)ccc2S(N2CCCCC2)(=O)=O)=O)c1Br

InChI

InChI=1S/C20H23BrN2O4S/c1-15-13-17(7-10-19(15)21)27-14-20(24)22-16-5-8-18(9-6-16)28(25,26)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24)

InChI Key

GICMNAWQAPZLBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03168153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.38

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

4.376

Distribution Coefficient, logD

4.375

Water Solubility, LogSw

-4.21

Polar Surface Area

62.326

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

5102-0141 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5102-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5102-0141?
Check Price and Availability of 5102-0141, 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 5102-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5102-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5102-0141
  • 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 5102-0141 available by request