V001-5613 Screening compound: 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3,4-dihydropyrimidin-4-one

V001-5613 Screening compound: 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3,4-dihydropyrimidin-4-one
V001-5613 Screening compound: 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-5613
2-[4-(4-ethylbenzoyl)piperazin-1-yl]-6-{[4-(4-methoxyphenyl)piperazin-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

V001-5613

Molecular Formula

C29H36N6O3 (C29 H36 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1C(N(CC1)CCN1C(N1)=NC(CN(CC2)CCN2c(cc2)ccc2OC)=CC1=O)=O

InChI

InChI=1S/C29H36N6O3/c1-3-22-4-6-23(7-5-22)28(37)34-16-18-35(19-17-34)29-30-24(20-27(36)31-29)21-32-12-14-33(15-13-32)25-8-10-26(38-2)11-9-25/h4-11,20H,3,12-19,21H2,1-2H3,(H,30,31,36)

InChI Key

VSZPIGQZYLJNCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19859673

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.978

Distribution Coefficient, logD

1.477

Water Solubility, LogSw

-3.29

Polar Surface Area

69.356

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

7.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

V001-5613 in Drug Discovery

Included in Screening Libraries

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 V001-5613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-5613?
Check Price and Availability of V001-5613, 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 V001-5613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-5613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-5613
  • 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 V001-5613 available by request