V011-8457 Screening compound: [4-(10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-YL)PIPERAZINO][2-(METHYLSULFANYL)-3-PYRIDYL]METHANONE

V011-8457 Screening compound: [4-(10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-YL)PIPERAZINO][2-(METHYLSULFANYL)-3-PYRIDYL]METHANONE
V011-8457 Screening compound: [4-(10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-YL)PIPERAZINO][2-(METHYLSULFANYL)-3-PYRIDYL]METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-8457
[4-(10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-YL)PIPERAZINO][2-(METHYLSULFANYL)-3-PYRIDYL]METHANONE

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

V011-8457

Molecular Formula

C26H27N3OS (C26 H27 N3 OS)

Compound Name

[4-(10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-YL)PIPERAZINO][2-(METHYLSULFANYL)-3-PYRIDYL]METHANONE

IUPAC name

n/a

SMILES

CSc1ncccc1C(N(CC1)CCN1C(c1c(CC2)cccc1)c1c2cccc1)=O

InChI

InChI=1S/C26H27N3OS/c1-31-25-23(11-6-14-27-25)26(30)29-17-15-28(16-18-29)24-21-9-4-2-7-19(21)12-13-20-8-3-5-10-22(20)24/h2-11,14,24H,12-13,15-18H2,1H3

InChI Key

BVUSUMUCENMDBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19963055

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

429.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.919

Distribution Coefficient, logD

4.919

Water Solubility, LogSw

-4.54

Polar Surface Area

27.878

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

V011-8457 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V011-8457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-8457?
Check Price and Availability of V011-8457, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V011-8457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-8457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-8457
  • 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 V011-8457 available by request