D144-0091 Screening compound: 9-benzyl-4-(4-methoxyphenyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

D144-0091 Screening compound: 9-benzyl-4-(4-methoxyphenyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
D144-0091 Screening compound: 9-benzyl-4-(4-methoxyphenyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D144-0091
9-benzyl-4-(4-methoxyphenyl)-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

D144-0091

Molecular Formula

C25H21NO4 (C25 H21 NO4)

Compound Name

9-benzyl-4-(4-methoxyphenyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

IUPAC name

9-benzyl-4-(4-methoxyphenyl)-2H8H9H10H-chromeno[87-e][13]oxazin-2-one

SMILES

COc(cc1)ccc1C(c(ccc1c2CN(Cc3ccccc3)CO1)c2O1)=CC1=O

InChI

InChI=1S/C25H21NO4/c1-28-19-9-7-18(8-10-19)21-13-24(27)30-25-20(21)11-12-23-22(25)15-26(16-29-23)14-17-5-3-2-4-6-17/h2-13H,14-16H2,1H3

InChI Key

GNAHIWSQNBTPIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05674281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.554

Distribution Coefficient, logD

4.530

Water Solubility, LogSw

-4.55

Polar Surface Area

40.187

Acid Dissociation Constant (pKa)

26.74

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D144-0091 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with D144-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D144-0091?
Check Price and Availability of D144-0091, 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 D144-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D144-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D144-0091
  • 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 D144-0091 available by request