L161-0302 Screening compound: ethyl 4-(6-{[2-(morpholin-4-yl)ethyl]sulfanyl}pyridine-3-amido)benzoate

L161-0302 Screening compound: ethyl 4-(6-{[2-(morpholin-4-yl)ethyl]sulfanyl}pyridine-3-amido)benzoate
L161-0302 Screening compound: ethyl 4-(6-{[2-(morpholin-4-yl)ethyl]sulfanyl}pyridine-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L161-0302
ethyl 4-(6-{[2-(morpholin-4-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

L161-0302

Molecular Formula

C21H25N3O4S (C21 H25 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(c(cc1)cnc1SCCN1CCOCC1)=O)=O

InChI

InChI=1S/C21H25N3O4S/c1-2-28-21(26)16-3-6-18(7-4-16)23-20(25)17-5-8-19(22-15-17)29-14-11-24-9-12-27-13-10-24/h3-8,15H,2,9-14H2,1H3,(H,23,25)

InChI Key

ZUFLXFRJYDVPPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15119898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.002

Distribution Coefficient, logD

2.958

Water Solubility, LogSw

-3.26

Polar Surface Area

64.201

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

L161-0302 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L161-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L161-0302?
Check Price and Availability of L161-0302, 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 L161-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L161-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L161-0302
  • 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 L161-0302 available by request