V010-5887 Screening compound: N-[2-ethyl-3-oxo-4-(2-phenoxyethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide

V010-5887 Screening compound: N-[2-ethyl-3-oxo-4-(2-phenoxyethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide
V010-5887 Screening compound: N-[2-ethyl-3-oxo-4-(2-phenoxyethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-5887
N-[2-ethyl-3-oxo-4-(2-phenoxyethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide

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

V010-5887

Molecular Formula

C26H25N3O6 (C26 H25 N3 O6)

Compound Name

N-[2-ethyl-3-oxo-4-(2-phenoxyethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide

IUPAC name

N-[2-ethyl-3-oxo-4-(2-phenoxyethyl)-2345-tetrahydro-14-benzoxazepin-7-yl]-4-nitrobenzamide

SMILES

CCC(C(N(CCOc1ccccc1)C1)=O)Oc(cc2)c1cc2NC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C26H25N3O6/c1-2-23-26(31)28(14-15-34-22-6-4-3-5-7-22)17-19-16-20(10-13-24(19)35-23)27-25(30)18-8-11-21(12-9-18)29(32)33/h3-13,16,23H,2,14-15,17H2,1H3,(H,27,30)/t23-/m1/s1

InChI Key

MREPYJZFOHHGIF-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19854235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.840

Distribution Coefficient, logD

4.840

Water Solubility, LogSw

-4.59

Polar Surface Area

88.644

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

V010-5887 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V010-5887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-5887?
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What is the minimum amount of V010-5887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-5887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-5887
  • 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 V010-5887 available by request