8343-0196 Screening compound: 2-(4-benzylpiperazin-1-yl)-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one

8343-0196 Screening compound: 2-(4-benzylpiperazin-1-yl)-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one
8343-0196 Screening compound: 2-(4-benzylpiperazin-1-yl)-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8343-0196
2-(4-benzylpiperazin-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

8343-0196

Molecular Formula

C25H25FN4O (C25 H25 FN4 O)

Compound Name

2-(4-benzylpiperazin-1-yl)-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

2-(4-benzylpiperazin-1-yl)-7-(4-fluorophenyl)-5678-tetrahydroquinazolin-5-one

SMILES

O=C(CC(C1)c(cc2)ccc2F)c2c1nc(N1CCN(Cc3ccccc3)CC1)nc2

InChI

InChI=1S/C25H25FN4O/c26-21-8-6-19(7-9-21)20-14-23-22(24(31)15-20)16-27-25(28-23)30-12-10-29(11-13-30)17-18-4-2-1-3-5-18/h1-9,16,20H,10-15,17H2/t20-/m0/s1

InChI Key

DWJNXYSRTRXLSS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD05698009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.002

Distribution Coefficient, logD

3.895

Water Solubility, LogSw

-4.14

Polar Surface Area

39.649

Acid Dissociation Constant (pKa)

16.67

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

8343-0196 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8343-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8343-0196?
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What is the minimum amount of 8343-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8343-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8343-0196
  • 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 8343-0196 available by request