L161-0068 Screening compound: ethyl 4-(6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-amido)benzoate

L161-0068 Screening compound: ethyl 4-(6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-amido)benzoate
L161-0068 Screening compound: ethyl 4-(6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L161-0068
ethyl 4-(6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-amido)benzoate

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

L161-0068

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

ethyl 4-(6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-amido)benzoate

IUPAC name

ethyl 4-(6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cc1)cnc1SCCN1CCCCC1)=O)=O

InChI

InChI=1S/C22H27N3O3S/c1-2-28-22(27)17-6-9-19(10-7-17)24-21(26)18-8-11-20(23-16-18)29-15-14-25-12-4-3-5-13-25/h6-11,16H,2-5,12-15H2,1H3,(H,24,26)

InChI Key

JPUFXGJUUWNSTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15119845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.109

Distribution Coefficient, logD

2.690

Water Solubility, LogSw

-3.77

Polar Surface Area

56.293

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

L161-0068 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with L161-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L161-0068?
Check Price and Availability of L161-0068, 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 L161-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L161-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L161-0068
  • 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 L161-0068 available by request