V002-4306 Screening compound: 1-{4-[(4-methylphenyl)(phenyl)methyl]piperazin-1-yl}-2-phenoxypropan-1-one

V002-4306 Screening compound: 1-{4-[(4-methylphenyl)(phenyl)methyl]piperazin-1-yl}-2-phenoxypropan-1-one
V002-4306 Screening compound: 1-{4-[(4-methylphenyl)(phenyl)methyl]piperazin-1-yl}-2-phenoxypropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4306
1-{4-[(4-methylphenyl)(phenyl)methyl]piperazin-1-yl}-2-phenoxypropan-1-one

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

V002-4306

Molecular Formula

C27H30N2O2 (C27 H30 N2 O2)

Compound Name

1-{4-[(4-methylphenyl)(phenyl)methyl]piperazin-1-yl}-2-phenoxypropan-1-one

IUPAC name

1-{4-[(4-methylphenyl)(phenyl)methyl]piperazin-1-yl}-2-phenoxypropan-1-one

SMILES

CC(C(N(CC1)CCN1C(c1ccccc1)c1ccc(C)cc1)=O)Oc1ccccc1

InChI

InChI=1S/C27H30N2O2/c1-21-13-15-24(16-14-21)26(23-9-5-3-6-10-23)28-17-19-29(20-18-28)27(30)22(2)31-25-11-7-4-8-12-25/h3-16,22,26H,17-20H2,1-2H3

InChI Key

SPOABIBBNIGJLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19963176

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

414.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.180

Distribution Coefficient, logD

5.164

Water Solubility, LogSw

-5.00

Polar Surface Area

26.237

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

V002-4306 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V002-4306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4306?
Check Price and Availability of V002-4306, 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 V002-4306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4306
  • 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 V002-4306 available by request