F850-0130 Screening compound: 2-(4-benzyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide

F850-0130 Screening compound: 2-(4-benzyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide
F850-0130 Screening compound: 2-(4-benzyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F850-0130
2-(4-benzyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide

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

F850-0130

Molecular Formula

C24H31N3O2 (C24 H31 N3 O2)

Compound Name

2-(4-benzyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide

IUPAC name

2-(4-benzyl-34-dihydro-2H-14-benzoxazin-3-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide

SMILES

O=C(CC1N(Cc2ccccc2)c(cccc2)c2OC1)NCCCN1CCCC1

InChI

InChI=1S/C24H31N3O2/c28-24(25-13-8-16-26-14-6-7-15-26)17-21-19-29-23-12-5-4-11-22(23)27(21)18-20-9-2-1-3-10-20/h1-5,9-12,21H,6-8,13-19H2,(H,25,28)/t21-/m0/s1

InChI Key

NZDTWMIXNZINNP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27199784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.819

Distribution Coefficient, logD

-0.271

Water Solubility, LogSw

-3.29

Polar Surface Area

39.106

Acid Dissociation Constant (pKa)

14.98

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

F850-0130 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F850-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F850-0130?
Check Price and Availability of F850-0130, 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 F850-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F850-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F850-0130
  • 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 F850-0130 available by request