V018-1212 Screening compound: N-{2-ethyl-4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenoxyacetamide

V018-1212 Screening compound: N-{2-ethyl-4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenoxyacetamide
V018-1212 Screening compound: N-{2-ethyl-4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1212
N-{2-ethyl-4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenoxyacetamide

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

V018-1212

Molecular Formula

C27H28N2O5 (C27 H28 N2 O5)

Compound Name

N-{2-ethyl-4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenoxyacetamide

IUPAC name

N-{2-ethyl-4-[(3-methoxyphenyl)methyl]-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-2-phenoxyacetamide

SMILES

CCC(C(N(Cc1cc(OC)ccc1)C1)=O)Oc(cc2)c1cc2NC(COc1ccccc1)=O

InChI

InChI=1S/C27H28N2O5/c1-3-24-27(31)29(16-19-8-7-11-23(14-19)32-2)17-20-15-21(12-13-25(20)34-24)28-26(30)18-33-22-9-5-4-6-10-22/h4-15,24H,3,16-18H2,1-2H3,(H,28,30)/t24-/m0/s1

InChI Key

QBUJXNWUFCYXFJ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19978839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.598

Distribution Coefficient, logD

4.598

Water Solubility, LogSw

-4.48

Polar Surface Area

62.696

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V018-1212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1212?
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What is the minimum amount of V018-1212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1212
  • 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 V018-1212 available by request