V010-4881 Screening compound: N~1~-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydro-1-naphthalenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-3-fluoro-4-methyl-1-benzenesulfonamide

V010-4881 Screening compound: N~1~-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydro-1-naphthalenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-3-fluoro-4-methyl-1-benzenesulfonamide
V010-4881 Screening compound: N~1~-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydro-1-naphthalenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-3-fluoro-4-methyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-4881
N~1~-[2-ethyl-3-oxo-4-(1,2,3,4-tetrahydro-1-naphthalenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-3-fluoro-4-methyl-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

V010-4881

Molecular Formula

C28H29FN2O4S (C28 H29 FN2 O4 S)

Compound Name

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

IUPAC name

n/a

SMILES

CCC(C(N(C1)C(CCC2)c3c2cccc3)=O)Oc(cc2)c1cc2NS(c1cc(F)c(C)cc1)(=O)=O

InChI

InChI=1S/C28H29FN2O4S/c1-3-26-28(32)31(25-10-6-8-19-7-4-5-9-23(19)25)17-20-15-21(12-14-27(20)35-26)30-36(33,34)22-13-11-18(2)24(29)16-22/h4-5,7,9,11-16,25-26,30H,3,6,8,10,17H2,1-2H3

InChI Key

WEIMUGMVTCTQRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19850032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.61

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

6.227

Distribution Coefficient, logD

6.185

Water Solubility, LogSw

-5.38

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

32.10

V010-4881 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 V010-4881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-4881?
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What is the minimum amount of V010-4881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-4881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-4881
  • 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 V010-4881 available by request