L150-1191 Screening compound: 3-fluoro-N~1~-[5-methyl-3-(1-pyrrolidinyl)-5H-pyridazino[3,4-b][1,4]benzoxazin-8-yl]benzamide

L150-1191 Screening compound: 3-fluoro-N~1~-[5-methyl-3-(1-pyrrolidinyl)-5H-pyridazino[3,4-b][1,4]benzoxazin-8-yl]benzamide
L150-1191 Screening compound: 3-fluoro-N~1~-[5-methyl-3-(1-pyrrolidinyl)-5H-pyridazino[3,4-b][1,4]benzoxazin-8-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L150-1191
3-fluoro-N~1~-[5-methyl-3-(1-pyrrolidinyl)-5H-pyridazino[3,4-b][1,4]benzoxazin-8-yl]benzamide

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

L150-1191

Molecular Formula

C22H20FN5O2 (C22 H20 FN5 O2)

Compound Name

3-fluoro-N~1~-[5-methyl-3-(1-pyrrolidinyl)-5H-pyridazino[3,4-b][1,4]benzoxazin-8-yl]benzamide

IUPAC name

3-fluoro-N-[9-methyl-6-(pyrrolidin-1-yl)-2-oxa-459-triazatricyclo[8.4.0.0^{38}]tetradeca-1(14)3571012-hexaen-13-yl]benzamide

SMILES

CN1c2cc(N3CCCC3)nnc2Oc2c1ccc(NC(c1cccc(F)c1)=O)c2

InChI

InChI=1S/C22H20FN5O2/c1-27-17-8-7-16(24-21(29)14-5-4-6-15(23)11-14)12-19(17)30-22-18(27)13-20(25-26-22)28-9-2-3-10-28/h4-8,11-13H,2-3,9-10H2,1H3,(H,24,29)

InChI Key

VMSYKYIBDVCVNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27234612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.689

Distribution Coefficient, logD

2.631

Water Solubility, LogSw

-4.11

Polar Surface Area

57.522

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

8.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L150-1191 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L150-1191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L150-1191?
Check Price and Availability of L150-1191, 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 L150-1191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L150-1191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L150-1191
  • 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 L150-1191 available by request