V028-0116 Screening compound: 2-({4-[6-(4-chlorophenoxy)-4-pyrimidinyl]-2-methyltetrahydro-1-pyrazinyl}methyl)phenyl methyl ether

V028-0116 Screening compound: 2-({4-[6-(4-chlorophenoxy)-4-pyrimidinyl]-2-methyltetrahydro-1-pyrazinyl}methyl)phenyl methyl ether
V028-0116 Screening compound: 2-({4-[6-(4-chlorophenoxy)-4-pyrimidinyl]-2-methyltetrahydro-1-pyrazinyl}methyl)phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0116
2-({4-[6-(4-chlorophenoxy)-4-pyrimidinyl]-2-methyltetrahydro-1-pyrazinyl}methyl)phenyl methyl ether

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

V028-0116

Molecular Formula

C23H25ClN4O2 (C23 H25 ClN4 O2)

Compound Name

2-({4-[6-(4-chlorophenoxy)-4-pyrimidinyl]-2-methyltetrahydro-1-pyrazinyl}methyl)phenyl methyl ether

IUPAC name

4-(4-chlorophenoxy)-6-{4-[(2-methoxyphenyl)methyl]-3-methylpiperazin-1-yl}pyrimidine

SMILES

CC(C1)N(Cc(cccc2)c2OC)CCN1c1cc(Oc(cc2)ccc2Cl)ncn1

InChI

InChI=1S/C23H25ClN4O2/c1-17-14-28(12-11-27(17)15-18-5-3-4-6-21(18)29-2)22-13-23(26-16-25-22)30-20-9-7-19(24)8-10-20/h3-10,13,16-17H,11-12,14-15H2,1-2H3/t17-/m0/s1

InChI Key

XHJJDCRROARHHC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19861303

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

424.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.798

Distribution Coefficient, logD

4.438

Water Solubility, LogSw

-5.01

Polar Surface Area

40.167

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

7.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

V028-0116 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V028-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0116?
Check Price and Availability of V028-0116, 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 V028-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0116
  • 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 V028-0116 available by request