F850-1720 Screening compound: 2-(6-chloro-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-1-(pyrrolidin-1-yl)ethan-1-one

F850-1720 Screening compound: 2-(6-chloro-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-1-(pyrrolidin-1-yl)ethan-1-one
F850-1720 Screening compound: 2-(6-chloro-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F850-1720
2-(6-chloro-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-1-(pyrrolidin-1-yl)ethan-1-one

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

F850-1720

Molecular Formula

C15H19ClN2O2 (C15 H19 ClN2 O2)

Compound Name

2-(6-chloro-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-1-(pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-(6-chloro-4-methyl-34-dihydro-2H-14-benzoxazin-3-yl)-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

CN1c(cc(cc2)Cl)c2OCC1CC(N1CCCC1)=O

InChI

InChI=1S/C15H19ClN2O2/c1-17-12(9-15(19)18-6-2-3-7-18)10-20-14-5-4-11(16)8-13(14)17/h4-5,8,12H,2-3,6-7,9-10H2,1H3/t12-/m0/s1

InChI Key

WQNODASREAUPAD-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27199882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.78

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.333

Distribution Coefficient, logD

2.333

Water Solubility, LogSw

-3.12

Polar Surface Area

27.241

Acid Dissociation Constant (pKa)

23.19

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

F850-1720 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F850-1720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F850-1720?
Check Price and Availability of F850-1720, 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 F850-1720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F850-1720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F850-1720
  • 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 F850-1720 available by request