8341-0091 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one

8341-0091 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one
8341-0091 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8341-0091
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-(4-fluorophenyl)-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

8341-0091

Molecular Formula

C26H25FN4O3 (C26 H25 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC(C1)c(cc2)ccc2F)c2c1nc(N1CCN(Cc(cc3)cc4c3OCO4)CC1)nc2

InChI

InChI=1S/C26H25FN4O3/c27-20-4-2-18(3-5-20)19-12-22-21(23(32)13-19)14-28-26(29-22)31-9-7-30(8-10-31)15-17-1-6-24-25(11-17)34-16-33-24/h1-6,11,14,19H,7-10,12-13,15-16H2/t19-/m0/s1

InChI Key

IZXJSYCLCIGYND-IBGZPJMESA-N

MDL Number (MFCD)

MFCD05688511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.51

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

3.874

Distribution Coefficient, logD

3.148

Water Solubility, LogSw

-3.87

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 8341-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8341-0091?
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What is the minimum amount of 8341-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8341-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8341-0091
  • 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 8341-0091 available by request