L161-0312 Screening compound: 6-[(2-morpholinoethyl)sulfanyl]-N~3~-(tetrahydro-2-furanylmethyl)nicotinamide

L161-0312 Screening compound: 6-[(2-morpholinoethyl)sulfanyl]-N~3~-(tetrahydro-2-furanylmethyl)nicotinamide
L161-0312 Screening compound: 6-[(2-morpholinoethyl)sulfanyl]-N~3~-(tetrahydro-2-furanylmethyl)nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L161-0312
6-[(2-morpholinoethyl)sulfanyl]-N~3~-(tetrahydro-2-furanylmethyl)nicotinamide

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

L161-0312

Molecular Formula

C17H25N3O3S (C17 H25 N3 O3 S)

Compound Name

6-[(2-morpholinoethyl)sulfanyl]-N~3~-(tetrahydro-2-furanylmethyl)nicotinamide

IUPAC name

6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-[(oxolan-2-yl)methyl]pyridine-3-carboxamide

SMILES

O=C(c(cc1)cnc1SCCN1CCOCC1)NCC1OCCC1

InChI

InChI=1S/C17H25N3O3S/c21-17(19-13-15-2-1-8-23-15)14-3-4-16(18-12-14)24-11-7-20-5-9-22-10-6-20/h3-4,12,15H,1-2,5-11,13H2,(H,19,21)

InChI Key

VHOLQDVNBGKLIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15119901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.617

Distribution Coefficient, logD

0.579

Water Solubility, LogSw

-1.98

Polar Surface Area

53.424

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

6.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.71

L161-0312 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L161-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L161-0312?
Check Price and Availability of L161-0312, 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 L161-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L161-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L161-0312
  • 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 L161-0312 available by request