7399-0425 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-5-pentyl-3,4-dihydropyrimidin-4-one

7399-0425 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-5-pentyl-3,4-dihydropyrimidin-4-one
7399-0425 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-5-pentyl-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7399-0425
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-5-pentyl-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

7399-0425

Molecular Formula

C22H30N4O3 (C22 H30 N4 O3)

Compound Name

2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-5-pentyl-3,4-dihydropyrimidin-4-one

IUPAC name

2-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-5-pentyl-34-dihydropyrimidin-4-one

SMILES

CCCCCC(C(N1)=O)=C(C)N=C1N1CCN(Cc(cc2)cc3c2OCO3)CC1

InChI

InChI=1S/C22H30N4O3/c1-3-4-5-6-18-16(2)23-22(24-21(18)27)26-11-9-25(10-12-26)14-17-7-8-19-20(13-17)29-15-28-19/h7-8,13H,3-6,9-12,14-15H2,1-2H3,(H,23,24,27)

InChI Key

GZVWBAFESSTNTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05839631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

2.264

Water Solubility, LogSw

-3.58

Polar Surface Area

58.264

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

7399-0425 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7399-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7399-0425?
Check Price and Availability of 7399-0425, 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 7399-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7399-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7399-0425
  • 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 7399-0425 available by request