V018-5785 Screening compound: N-benzyl-2-{6-[2-(3-ethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-methylacetamide

V018-5785 Screening compound: N-benzyl-2-{6-[2-(3-ethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-methylacetamide
V018-5785 Screening compound: N-benzyl-2-{6-[2-(3-ethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5785
N-benzyl-2-{6-[2-(3-ethylphenoxy)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

V018-5785

Molecular Formula

C28H28N2O5 (C28 H28 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCc1cccc(OCC(c(cc2)cc(N3CC(N(C)Cc4ccccc4)=O)c2OCC3=O)=O)c1

InChI

InChI=1S/C28H28N2O5/c1-3-20-10-7-11-23(14-20)34-18-25(31)22-12-13-26-24(15-22)30(28(33)19-35-26)17-27(32)29(2)16-21-8-5-4-6-9-21/h4-15H,3,16-19H2,1-2H3

InChI Key

IVWCYZOXZUMCNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19891678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.33

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

25.00

References: we are preparing a list of scientific research reports with V018-5785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5785?
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What is the minimum amount of V018-5785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5785
  • 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 V018-5785 available by request