D144-0040 Screening compound: 6-ethyl-9-[(4-fluorophenyl)methyl]-4-phenyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

D144-0040 Screening compound: 6-ethyl-9-[(4-fluorophenyl)methyl]-4-phenyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
D144-0040 Screening compound: 6-ethyl-9-[(4-fluorophenyl)methyl]-4-phenyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D144-0040
6-ethyl-9-[(4-fluorophenyl)methyl]-4-phenyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-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

D144-0040

Molecular Formula

C26H22FNO3 (C26 H22 FNO3)

Compound Name

6-ethyl-9-[(4-fluorophenyl)methyl]-4-phenyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

IUPAC name

6-ethyl-9-[(4-fluorophenyl)methyl]-4-phenyl-2H8H9H10H-chromeno[87-e][13]oxazin-2-one

SMILES

CCc(c1c2CN(Cc(cc3)ccc3F)CO1)cc(C(c1ccccc1)=C1)c2OC1=O

InChI

InChI=1S/C26H22FNO3/c1-2-18-12-22-21(19-6-4-3-5-7-19)13-24(29)31-26(22)23-15-28(16-30-25(18)23)14-17-8-10-20(27)11-9-17/h3-13H,2,14-16H2,1H3

InChI Key

YWEYLAQXHXWVEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04168593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.428

Distribution Coefficient, logD

5.331

Water Solubility, LogSw

-5.40

Polar Surface Area

32.327

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

D144-0040 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D144-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D144-0040?
Check Price and Availability of D144-0040, 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 D144-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D144-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D144-0040
  • 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 D144-0040 available by request