V003-2809 Screening compound: 3-chloro-N-{2-ethyl-4-[2-(2-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzene-1-sulfonamide

V003-2809 Screening compound: 3-chloro-N-{2-ethyl-4-[2-(2-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzene-1-sulfonamide
V003-2809 Screening compound: 3-chloro-N-{2-ethyl-4-[2-(2-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2809
3-chloro-N-{2-ethyl-4-[2-(2-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzene-1-sulfonamide

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

V003-2809

Molecular Formula

C26H27ClN2O5S (C26 H27 ClN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(N(CCc(cccc1)c1OC)C1)=O)Oc(cc2)c1cc2NS(c1cccc(Cl)c1)(=O)=O

InChI

InChI=1S/C26H27ClN2O5S/c1-3-23-26(30)29(14-13-18-7-4-5-10-24(18)33-2)17-19-15-21(11-12-25(19)34-23)28-35(31,32)22-9-6-8-20(27)16-22/h4-12,15-16,23,28H,3,13-14,17H2,1-2H3/t23-/m1/s1

InChI Key

WWUUCZKCNBVMEZ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19850074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.03

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.264

Distribution Coefficient, logD

5.223

Water Solubility, LogSw

-5.55

Polar Surface Area

73.034

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

V003-2809 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V003-2809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2809?
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What is the minimum amount of V003-2809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2809
  • 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 V003-2809 available by request