V029-0636 Screening compound: 6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-2-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}-3,4-dihydropyrimidin-4-one

V029-0636 Screening compound: 6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-2-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}-3,4-dihydropyrimidin-4-one
V029-0636 Screening compound: 6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-2-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0636
6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-2-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}-3,4-dihydropyrimidin-4-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

V029-0636

Molecular Formula

C25H30ClN7O (C25 H30 ClN7 O)

Compound Name

6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-2-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}-3,4-dihydropyrimidin-4-one

IUPAC name

6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-2-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}-34-dihydropyrimidin-4-one

SMILES

O=C1NC(N2CCN(Cc3ccncc3)CC2)=NC(CN(CC2)CCN2c(cccc2)c2Cl)=C1

InChI

InChI=1S/C25H30ClN7O/c26-22-3-1-2-4-23(22)32-13-9-31(10-14-32)19-21-17-24(34)29-25(28-21)33-15-11-30(12-16-33)18-20-5-7-27-8-6-20/h1-8,17H,9-16,18-19H2,(H,28,29,34)

InChI Key

JRNUGGXZAHHRQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19860147

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

480.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.787

Distribution Coefficient, logD

0.805

Water Solubility, LogSw

-2.56

Polar Surface Area

58.023

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V029-0636 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V029-0636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0636?
Check Price and Availability of V029-0636, 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 V029-0636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0636
  • 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 V029-0636 available by request