V010-4873 Screening compound: 3-chloro-N~1~-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydro-1-naphthalenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-benzenesulfonamide

V010-4873 Screening compound: 3-chloro-N~1~-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydro-1-naphthalenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-benzenesulfonamide
V010-4873 Screening compound: 3-chloro-N~1~-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydro-1-naphthalenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-4873
3-chloro-N~1~-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydro-1-naphthalenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-benzenesulfonamide

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

V010-4873

Molecular Formula

C27H27ClN2O4S (C27 H27 ClN2 O4 S)

Compound Name

3-chloro-N~1~-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydro-1-naphthalenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-benzenesulfonamide

IUPAC name

3-chloro-N-[2-ethyl-3-oxo-4-(1234-tetrahydronaphthalen-1-yl)-2345-tetrahydro-14-benzoxazepin-7-yl]benzene-1-sulfonamide

SMILES

CCC(C(N(C1)C(CCC2)c3c2cccc3)=O)Oc(cc2)c1cc2NS(c1cccc(Cl)c1)(=O)=O

InChI

InChI=1S/C27H27ClN2O4S/c1-2-25-27(31)30(24-12-5-8-18-7-3-4-11-23(18)24)17-19-15-21(13-14-26(19)34-25)29-35(32,33)22-10-6-9-20(28)16-22/h3-4,6-7,9-11,13-16,24-25,29H,2,5,8,12,17H2,1H3

InChI Key

RTYDVUSMZLQCDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19850031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.165

Distribution Coefficient, logD

6.123

Water Solubility, LogSw

-5.94

Polar Surface Area

64.006

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.63

V010-4873 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V010-4873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-4873?
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What is the minimum amount of V010-4873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-4873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-4873
  • 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 V010-4873 available by request