V017-2529 Screening compound: N-benzyl-2-{6-[2-(3-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-methylacetamide

V017-2529 Screening compound: N-benzyl-2-{6-[2-(3-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-methylacetamide
V017-2529 Screening compound: N-benzyl-2-{6-[2-(3-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-2529
N-benzyl-2-{6-[2-(3-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-methylacetamide

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

V017-2529

Molecular Formula

C26H23FN2O5 (C26 H23 FN2 O5)

Compound Name

N-benzyl-2-{6-[2-(3-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-methylacetamide

IUPAC name

N-benzyl-2-{6-[2-(3-fluorophenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}-N-methylacetamide

SMILES

CN(Cc1ccccc1)C(CN1c(cc(cc2)C(COc3cccc(F)c3)=O)c2OCC1=O)=O

InChI

InChI=1S/C26H23FN2O5/c1-28(14-18-6-3-2-4-7-18)25(31)15-29-22-12-19(10-11-24(22)34-17-26(29)32)23(30)16-33-21-9-5-8-20(27)13-21/h2-13H,14-17H2,1H3

InChI Key

IRINXWRTGOWREJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19891856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.346

Distribution Coefficient, logD

3.346

Water Solubility, LogSw

-3.74

Polar Surface Area

60.437

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with V017-2529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-2529?
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What is the minimum amount of V017-2529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-2529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-2529
  • 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 V017-2529 available by request