F033-1316 Screening compound: (1-benzyl-1,2,3,6-tetrahydro-4-pyridinyl)(morpholino)methanone

F033-1316 Screening compound: (1-benzyl-1,2,3,6-tetrahydro-4-pyridinyl)(morpholino)methanone
F033-1316 Screening compound: (1-benzyl-1,2,3,6-tetrahydro-4-pyridinyl)(morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F033-1316
(1-benzyl-1,2,3,6-tetrahydro-4-pyridinyl)(morpholino)methanone

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

F033-1316

Molecular Formula

C17H22N2O2 (C17 H22 N2 O2)

Compound Name

(1-benzyl-1,2,3,6-tetrahydro-4-pyridinyl)(morpholino)methanone

IUPAC name

4-(1-benzyl-1236-tetrahydropyridine-4-carbonyl)morpholine

SMILES

O=C(C1=CCN(Cc2ccccc2)CC1)N1CCOCC1

InChI

InChI=1S/C17H22N2O2/c20-17(19-10-12-21-13-11-19)16-6-8-18(9-7-16)14-15-4-2-1-3-5-15/h1-6H,7-14H2

InChI Key

KEAANOSGWXDTOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.735

Distribution Coefficient, logD

-2.796

Water Solubility, LogSw

-1.96

Polar Surface Area

28.528

Acid Dissociation Constant (pKa)

28.58

Base Dissociation Constant (pKb)

11.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

F033-1316 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with F033-1316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F033-1316?
Check Price and Availability of F033-1316, 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 F033-1316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F033-1316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F033-1316
  • 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 F033-1316 available by request