M396-0247 Screening compound: 3-FLUORO-N-{2-[(2-PIPERIDINOETHYL)SULFANYL]-3-PYRIDYL}BENZAMIDE

M396-0247 Screening compound: 3-FLUORO-N-{2-[(2-PIPERIDINOETHYL)SULFANYL]-3-PYRIDYL}BENZAMIDE
M396-0247 Screening compound: 3-FLUORO-N-{2-[(2-PIPERIDINOETHYL)SULFANYL]-3-PYRIDYL}BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound M396-0247
3-FLUORO-N-{2-[(2-PIPERIDINOETHYL)SULFANYL]-3-PYRIDYL}BENZAMIDE

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

M396-0247

Molecular Formula

C19H22FN3OS (C19 H22 FN3 OS)

Compound Name

3-FLUORO-N-{2-[(2-PIPERIDINOETHYL)SULFANYL]-3-PYRIDYL}BENZAMIDE

IUPAC name

n/a

SMILES

O=C(c1cc(F)ccc1)Nc1cccnc1SCCN1CCCCC1

InChI

InChI=1S/C19H22FN3OS/c20-16-7-4-6-15(14-16)18(24)22-17-8-5-9-21-19(17)25-13-12-23-10-2-1-3-11-23/h4-9,14H,1-3,10-13H2,(H,22,24)

InChI Key

YJTKLDJNZAVZLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.105

Distribution Coefficient, logD

1.813

Water Solubility, LogSw

-3.34

Polar Surface Area

35.522

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

8.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

M396-0247 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 M396-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M396-0247?
Check Price and Availability of M396-0247, 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 M396-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M396-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M396-0247
  • 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 M396-0247 available by request