V003-5044 Screening compound: [4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazino](2-methylphenyl)methanone

V003-5044 Screening compound: [4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazino](2-methylphenyl)methanone
V003-5044 Screening compound: [4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazino](2-methylphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5044
[4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazino](2-methylphenyl)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

V003-5044

Molecular Formula

C27H28N2O (C27 H28 N2 O)

Compound Name

[4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazino](2-methylphenyl)methanone

IUPAC name

1-(2-methylbenzoyl)-4-{tricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-2-yl}piperazine

SMILES

Cc(cccc1)c1C(N(CC1)CCN1C(c1c(CC2)cccc1)c1c2cccc1)=O

InChI

InChI=1S/C27H28N2O/c1-20-8-2-5-11-23(20)27(30)29-18-16-28(17-19-29)26-24-12-6-3-9-21(24)14-15-22-10-4-7-13-25(22)26/h2-13,26H,14-19H2,1H3

InChI Key

RIAOONHFPXBBPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19963278

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

396.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.564

Distribution Coefficient, logD

5.564

Water Solubility, LogSw

-5.47

Polar Surface Area

18.699

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

V003-5044 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V003-5044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5044?
Check Price and Availability of V003-5044, 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 V003-5044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5044
  • 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 V003-5044 available by request