6098-0002 Screening compound: 2-(3,5-dimethylpiperidin-1-yl)-N-(4-sulfamoylphenyl)acetamide

6098-0002 Screening compound: 2-(3,5-dimethylpiperidin-1-yl)-N-(4-sulfamoylphenyl)acetamide
6098-0002 Screening compound: 2-(3,5-dimethylpiperidin-1-yl)-N-(4-sulfamoylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6098-0002
2-(3,5-dimethylpiperidin-1-yl)-N-(4-sulfamoylphenyl)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

6098-0002

Molecular Formula

C15H23N3O3S (C15 H23 N3 O3 S)

Compound Name

2-(3,5-dimethylpiperidin-1-yl)-N-(4-sulfamoylphenyl)acetamide

IUPAC name

2-(35-dimethylpiperidin-1-yl)-N-(4-sulfamoylphenyl)acetamide

SMILES

CC1CN(CC(Nc(cc2)ccc2S(N)(=O)=O)=O)CC(C)C1

InChI

InChI=1S/C15H23N3O3S/c1-11-7-12(2)9-18(8-11)10-15(19)17-13-3-5-14(6-4-13)22(16,20)21/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)(H2,16,20,21)

InChI Key

BNZHPFUXYCHQOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03357139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.934

Distribution Coefficient, logD

1.892

Water Solubility, LogSw

-2.72

Polar Surface Area

77.590

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.30

6098-0002 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 6098-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6098-0002?
Check Price and Availability of 6098-0002, 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 6098-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6098-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6098-0002
  • 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 6098-0002 available by request