V028-8318 Screening compound: benzyl N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamate

V028-8318 Screening compound: benzyl N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamate
V028-8318 Screening compound: benzyl N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8318
benzyl N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamate

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

V028-8318

Molecular Formula

C27H28N2O6 (C27 H28 N2 O6)

Compound Name

benzyl N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}carbamate

IUPAC name

benzyl N-{4-[(23-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}carbamate

SMILES

CC(C(N(Cc(cccc1OC)c1OC)C1)=O)Oc(cc2)c1cc2NC(OCc1ccccc1)=O

InChI

InChI=1S/C27H28N2O6/c1-18-26(30)29(15-20-10-7-11-24(32-2)25(20)33-3)16-21-14-22(12-13-23(21)35-18)28-27(31)34-17-19-8-5-4-6-9-19/h4-14,18H,15-17H2,1-3H3,(H,28,31)/t18-/m0/s1

InChI Key

BNHGPUIUQGBZON-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19854538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.779

Distribution Coefficient, logD

4.779

Water Solubility, LogSw

-4.83

Polar Surface Area

71.476

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

V028-8318 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with V028-8318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8318?
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What is the minimum amount of V028-8318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8318
  • 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 V028-8318 available by request