V015-2812 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{6-[2-(3-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide

V015-2812 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{6-[2-(3-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide
V015-2812 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{6-[2-(3-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-2812
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{6-[2-(3-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}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

V015-2812

Molecular Formula

C26H21FN2O7 (C26 H21 FN2 O7)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{6-[2-(3-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-{6-[2-(3-fluorophenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}acetamide

SMILES

O=C(COc1cccc(F)c1)c(cc1)cc(N2CC(NCc(cc3)cc4c3OCO4)=O)c1OCC2=O

InChI

InChI=1S/C26H21FN2O7/c27-18-2-1-3-19(10-18)33-13-21(30)17-5-7-22-20(9-17)29(26(32)14-34-22)12-25(31)28-11-16-4-6-23-24(8-16)36-15-35-23/h1-10H,11-15H2,(H,28,31)

InChI Key

ANGKPVUCDXFLRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19891847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.918

Distribution Coefficient, logD

2.918

Water Solubility, LogSw

-3.31

Polar Surface Area

86.130

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with V015-2812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-2812?
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What is the minimum amount of V015-2812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-2812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-2812
  • 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 V015-2812 available by request