8451-07206 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-phenyl-5,6,7,8-tetrahydroquinazolin-5-one

8451-07206 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-phenyl-5,6,7,8-tetrahydroquinazolin-5-one
8451-07206 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-phenyl-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8451-07206
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-phenyl-5,6,7,8-tetrahydroquinazolin-5-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

8451-07206

Molecular Formula

C26H26N4O3 (C26 H26 N4 O3)

Compound Name

2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-phenyl-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

2-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-phenyl-5678-tetrahydroquinazolin-5-one

SMILES

O=C(CC(C1)c2ccccc2)c2c1nc(N1CCN(Cc(cc3)cc4c3OCO4)CC1)nc2

InChI

InChI=1S/C26H26N4O3/c31-23-14-20(19-4-2-1-3-5-19)13-22-21(23)15-27-26(28-22)30-10-8-29(9-11-30)16-18-6-7-24-25(12-18)33-17-32-24/h1-7,12,15,20H,8-11,13-14,16-17H2/t20-/m1/s1

InChI Key

AHTIEZJBCDPHQV-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD05694861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.849

Distribution Coefficient, logD

3.124

Water Solubility, LogSw

-3.90

Polar Surface Area

56.764

Acid Dissociation Constant (pKa)

16.67

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with 8451-07206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8451-07206?
Check Price and Availability of 8451-07206, 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 8451-07206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8451-07206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8451-07206
  • 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 8451-07206 available by request