V028-5539 Screening compound: N-[(furan-2-yl)methyl]-4-{6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}butanamide

V028-5539 Screening compound: N-[(furan-2-yl)methyl]-4-{6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}butanamide
V028-5539 Screening compound: N-[(furan-2-yl)methyl]-4-{6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5539
N-[(furan-2-yl)methyl]-4-{6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}butanamide

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

V028-5539

Molecular Formula

C26H26N2O7 (C26 H26 N2 O7)

Compound Name

N-[(furan-2-yl)methyl]-4-{6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}butanamide

IUPAC name

N-[(furan-2-yl)methyl]-4-{6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}butanamide

SMILES

COc1cccc(OCC(c(cc2)cc(N3CCCC(NCc4ccco4)=O)c2OCC3=O)=O)c1

InChI

InChI=1S/C26H26N2O7/c1-32-19-5-2-6-20(14-19)34-16-23(29)18-9-10-24-22(13-18)28(26(31)17-35-24)11-3-8-25(30)27-15-21-7-4-12-33-21/h2,4-7,9-10,12-14H,3,8,11,15-17H2,1H3,(H,27,30)

InChI Key

JGTWSYWPTXVESF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19891140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.474

Distribution Coefficient, logD

2.474

Water Solubility, LogSw

-2.84

Polar Surface Area

84.285

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

V028-5539 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-5539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5539?
Check Price and Availability of V028-5539, 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 V028-5539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5539
  • 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 V028-5539 available by request