V026-7721 Screening compound: 2-{3-oxo-6-[2-(2,3,5-trimethylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-(propan-2-yl)acetamide

V026-7721 Screening compound: 2-{3-oxo-6-[2-(2,3,5-trimethylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-(propan-2-yl)acetamide
V026-7721 Screening compound: 2-{3-oxo-6-[2-(2,3,5-trimethylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-7721
2-{3-oxo-6-[2-(2,3,5-trimethylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-(propan-2-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

V026-7721

Molecular Formula

C24H28N2O5 (C24 H28 N2 O5)

Compound Name

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

IUPAC name

2-{3-oxo-6-[2-(235-trimethylphenoxy)acetyl]-34-dihydro-2H-14-benzoxazin-4-yl}-N-(propan-2-yl)acetamide

SMILES

CC(C)NC(CN1c(cc(cc2)C(COc3c(C)c(C)cc(C)c3)=O)c2OCC1=O)=O

InChI

InChI=1S/C24H28N2O5/c1-14(2)25-23(28)11-26-19-10-18(6-7-21(19)31-13-24(26)29)20(27)12-30-22-9-15(3)8-16(4)17(22)5/h6-10,14H,11-13H2,1-5H3,(H,25,28)

InChI Key

PAZXPEJEWAWYHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19891700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.444

Distribution Coefficient, logD

3.444

Water Solubility, LogSw

-3.73

Polar Surface Area

68.347

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V026-7721 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V026-7721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-7721?
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What is the minimum amount of V026-7721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-7721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-7721
  • 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 V026-7721 available by request