V010-9333 Screening compound: ({4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidin-5-yl}methyl)(1-phenylpropyl)amine

V010-9333 Screening compound: ({4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidin-5-yl}methyl)(1-phenylpropyl)amine
V010-9333 Screening compound: ({4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidin-5-yl}methyl)(1-phenylpropyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9333
({4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidin-5-yl}methyl)(1-phenylpropyl)amine

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

V010-9333

Molecular Formula

C25H30FN5S (C25 H30 FN5 S)

Compound Name

({4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidin-5-yl}methyl)(1-phenylpropyl)amine

IUPAC name

({4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidin-5-yl}methyl)(1-phenylpropyl)amine

SMILES

CCC(c1ccccc1)NCc(cn1)c(N(CC2)CCN2c(cc2)ccc2F)nc1SC

InChI

InChI=1S/C25H30FN5S/c1-3-23(19-7-5-4-6-8-19)27-17-20-18-28-25(32-2)29-24(20)31-15-13-30(14-16-31)22-11-9-21(26)10-12-22/h4-12,18,23,27H,3,13-17H2,1-2H3/t23-/m0/s1

InChI Key

MZLDJGHHYXMOPZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19943682

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

451.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.447

Distribution Coefficient, logD

3.799

Water Solubility, LogSw

-5.48

Polar Surface Area

35.886

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

V010-9333 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V010-9333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9333?
Check Price and Availability of V010-9333, 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 V010-9333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9333
  • 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 V010-9333 available by request