F779-0430 Screening compound: 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-{3-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}acetamide

F779-0430 Screening compound: 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-{3-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}acetamide
F779-0430 Screening compound: 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-{3-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F779-0430
2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-{3-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}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

F779-0430

Molecular Formula

C26H23ClN4O3 (C26 H23 ClN4 O3)

Compound Name

2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-{3-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}acetamide

IUPAC name

2-(6-chloro-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)-N-{3-[2-(5-methyl-1H-13-benzodiazol-2-yl)ethyl]phenyl}acetamide

SMILES

Cc(cc1)cc2c1[nH]c(CCc1cccc(NC(CN3c(cc(cc4)Cl)c4OCC3=O)=O)c1)n2

InChI

InChI=1S/C26H23ClN4O3/c1-16-5-8-20-21(11-16)30-24(29-20)10-6-17-3-2-4-19(12-17)28-25(32)14-31-22-13-18(27)7-9-23(22)34-15-26(31)33/h2-5,7-9,11-13H,6,10,14-15H2,1H3,(H,28,32)(H,29,30)

InChI Key

FFAKSMSMLXEPFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27189681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.880

Distribution Coefficient, logD

4.864

Water Solubility, LogSw

-4.76

Polar Surface Area

67.228

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

F779-0430 in Drug Discovery

Included in Screening Libraries

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

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

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • 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 F779-0430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F779-0430?
Check Price and Availability of F779-0430, 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 F779-0430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F779-0430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F779-0430
  • 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 F779-0430 available by request