F387-1185 Screening compound: 3-[(5-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbonyl}-1,2,4-oxadiazol-3-yl)methyl]-4(3H)-quinazolinone

F387-1185 Screening compound: 3-[(5-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbonyl}-1,2,4-oxadiazol-3-yl)methyl]-4(3H)-quinazolinone
F387-1185 Screening compound: 3-[(5-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbonyl}-1,2,4-oxadiazol-3-yl)methyl]-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound F387-1185
3-[(5-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbonyl}-1,2,4-oxadiazol-3-yl)methyl]-4(3H)-quinazolinone

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

F387-1185

Molecular Formula

C24H22N6O5 (C24 H22 N6 O5)

Compound Name

3-[(5-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbonyl}-1,2,4-oxadiazol-3-yl)methyl]-4(3H)-quinazolinone

IUPAC name

3-[(5-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-124-oxadiazol-3-yl)methyl]-34-dihydroquinazolin-4-one

SMILES

O=C(c1nc(CN(C=Nc2c3cccc2)C3=O)no1)N1CCN(Cc(cc2)cc3c2OCO3)CC1

InChI

InChI=1S/C24H22N6O5/c31-23-17-3-1-2-4-18(17)25-14-30(23)13-21-26-22(35-27-21)24(32)29-9-7-28(8-10-29)12-16-5-6-19-20(11-16)34-15-33-19/h1-6,11,14H,7-10,12-13,15H2

InChI Key

DNLUOLVHXIBRAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27122225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.012

Distribution Coefficient, logD

0.823

Water Solubility, LogSw

-2.37

Polar Surface Area

96.583

Acid Dissociation Constant (pKa)

28.77

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.17

F387-1185 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F387-1185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F387-1185?
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What is the minimum amount of F387-1185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F387-1185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F387-1185
  • 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 F387-1185 available by request