1999-0087 Screening compound: 2-[(1E)-2-(2-fluorophenyl)ethenyl]-3-phenyl-3,4-dihydroquinazolin-4-one

1999-0087 Screening compound: 2-[(1E)-2-(2-fluorophenyl)ethenyl]-3-phenyl-3,4-dihydroquinazolin-4-one
1999-0087 Screening compound: 2-[(1E)-2-(2-fluorophenyl)ethenyl]-3-phenyl-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1999-0087
2-[(1E)-2-(2-fluorophenyl)ethenyl]-3-phenyl-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

1999-0087

Molecular Formula

C22H15FN2O (C22 H15 FN2 O)

Compound Name

2-[(1E)-2-(2-fluorophenyl)ethenyl]-3-phenyl-3,4-dihydroquinazolin-4-one

IUPAC name

2-[(1E)-2-(2-fluorophenyl)ethenyl]-3-phenyl-34-dihydroquinazolin-4-one

SMILES

O=C(c(cccc1)c1N=C1/C=C/c(cccc2)c2F)N1c1ccccc1

InChI

InChI=1S/C22H15FN2O/c23-19-12-6-4-8-16(19)14-15-21-24-20-13-7-5-11-18(20)22(26)25(21)17-9-2-1-3-10-17/h1-15H

InChI Key

VNSIZTQFESENDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00617438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.022

Distribution Coefficient, logD

4.021

Water Solubility, LogSw

-4.43

Polar Surface Area

24.594

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1999-0087 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 1999-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1999-0087?
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What is the minimum amount of 1999-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1999-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1999-0087
  • 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 1999-0087 available by request