V028-6886 Screening compound: 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydropyrimidin-4-one

V028-6886 Screening compound: 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydropyrimidin-4-one
V028-6886 Screening compound: 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-6886
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-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

V028-6886

Molecular Formula

C27H32N6O3 (C27 H32 N6 O3)

Compound Name

2-[4-(2-methoxybenzoyl)piperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydropyrimidin-4-one

IUPAC name

2-[4-(2-methoxybenzoyl)piperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-34-dihydropyrimidin-4-one

SMILES

COc(cccc1)c1C(N(CC1)CCN1C(N1)=NC(CN(CC2)CCN2c2ccccc2)=CC1=O)=O

InChI

InChI=1S/C27H32N6O3/c1-36-24-10-6-5-9-23(24)26(35)32-15-17-33(18-16-32)27-28-21(19-25(34)29-27)20-30-11-13-31(14-12-30)22-7-3-2-4-8-22/h2-10,19H,11-18,20H2,1H3,(H,28,29,34)

InChI Key

RGVXKCGZNHMIBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19858608

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.827

Distribution Coefficient, logD

0.325

Water Solubility, LogSw

-2.72

Polar Surface Area

69.442

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

7.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

V028-6886 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V028-6886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-6886?
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What is the minimum amount of V028-6886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-6886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-6886
  • 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 V028-6886 available by request