V028-0023 Screening compound: 1-{4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-2-phenylbutan-1-one

V028-0023 Screening compound: 1-{4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-2-phenylbutan-1-one
V028-0023 Screening compound: 1-{4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-2-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0023
1-{4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-2-phenylbutan-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

V028-0023

Molecular Formula

C26H30N4O3 (C26 H30 N4 O3)

Compound Name

1-{4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-2-phenylbutan-1-one

IUPAC name

1-{4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-2-phenylbutan-1-one

SMILES

CCC(C(N(CC1)C(C)CN1c1ncnc(Oc(cc2)ccc2OC)c1)=O)c1ccccc1

InChI

InChI=1S/C26H30N4O3/c1-4-23(20-8-6-5-7-9-20)26(31)30-15-14-29(17-19(30)2)24-16-25(28-18-27-24)33-22-12-10-21(32-3)11-13-22/h5-13,16,18-19,23H,4,14-15,17H2,1-3H3

InChI Key

JLHAXLRLCXQUSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19935049

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.762

Distribution Coefficient, logD

4.762

Water Solubility, LogSw

-4.59

Polar Surface Area

52.831

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.60

V028-0023 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0023?
Check Price and Availability of V028-0023, 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 V028-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0023
  • 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 V028-0023 available by request