V004-8025 Screening compound: 1-[4-(10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-YL)PIPERAZINO]-2-(3-METHOXYPHENYL)-1-ETHANONE

V004-8025 Screening compound: 1-[4-(10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-YL)PIPERAZINO]-2-(3-METHOXYPHENYL)-1-ETHANONE
V004-8025 Screening compound: 1-[4-(10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-YL)PIPERAZINO]-2-(3-METHOXYPHENYL)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8025
1-[4-(10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-YL)PIPERAZINO]-2-(3-METHOXYPHENYL)-1-ETHANONE

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

V004-8025

Molecular Formula

C28H30N2O2 (C28 H30 N2 O2)

Compound Name

1-[4-(10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-YL)PIPERAZINO]-2-(3-METHOXYPHENYL)-1-ETHANONE

IUPAC name

2-(3-methoxyphenyl)-1-(4-{tricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-2-yl}piperazin-1-yl)ethan-1-one

SMILES

COc1cccc(CC(N(CC2)CCN2C(c2c(CC3)cccc2)c2c3cccc2)=O)c1

InChI

InChI=1S/C28H30N2O2/c1-32-24-10-6-7-21(19-24)20-27(31)29-15-17-30(18-16-29)28-25-11-4-2-8-22(25)13-14-23-9-3-5-12-26(23)28/h2-12,19,28H,13-18,20H2,1H3

InChI Key

CXCCRRZJTLPTBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19962945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.554

Distribution Coefficient, logD

5.553

Water Solubility, LogSw

-5.46

Polar Surface Area

25.715

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

V004-8025 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V004-8025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8025?
Check Price and Availability of V004-8025, 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 V004-8025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8025
  • 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 V004-8025 available by request