F387-1101 Screening compound: 3-{[5-(4-phenylpiperazine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl}-3,4-dihydroquinazolin-4-one

F387-1101 Screening compound: 3-{[5-(4-phenylpiperazine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl}-3,4-dihydroquinazolin-4-one
F387-1101 Screening compound: 3-{[5-(4-phenylpiperazine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F387-1101
3-{[5-(4-phenylpiperazine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl}-3,4-dihydroquinazolin-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

F387-1101

Molecular Formula

C22H20N6O3 (C22 H20 N6 O3)

Compound Name

3-{[5-(4-phenylpiperazine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl}-3,4-dihydroquinazolin-4-one

IUPAC name

3-{[5-(4-phenylpiperazine-1-carbonyl)-124-oxadiazol-3-yl]methyl}-34-dihydroquinazolin-4-one

SMILES

O=C(c1nc(CN(C=Nc2c3cccc2)C3=O)no1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C22H20N6O3/c29-21-17-8-4-5-9-18(17)23-15-28(21)14-19-24-20(31-25-19)22(30)27-12-10-26(11-13-27)16-6-2-1-3-7-16/h1-9,15H,10-14H2

InChI Key

PZFWVAJSSOQZFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27122202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.460

Distribution Coefficient, logD

1.460

Water Solubility, LogSw

-2.37

Polar Surface Area

79.187

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

F387-1101 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F387-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F387-1101?
Check Price and Availability of F387-1101, 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 F387-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F387-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F387-1101
  • 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 F387-1101 available by request