1814-2209 Screening compound: 2-{3-oxo-3H-benzo[f]chromen-2-yl}-3,4-dihydroquinazolin-4-one

1814-2209 Screening compound: 2-{3-oxo-3H-benzo[f]chromen-2-yl}-3,4-dihydroquinazolin-4-one
1814-2209 Screening compound: 2-{3-oxo-3H-benzo[f]chromen-2-yl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1814-2209
2-{3-oxo-3H-benzo[f]chromen-2-yl}-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

1814-2209

Molecular Formula

C21H12N2O3 (C21 H12 N2 O3)

Compound Name

2-{3-oxo-3H-benzo[f]chromen-2-yl}-3,4-dihydroquinazolin-4-one

IUPAC name

2-{3-oxo-3H-benzo[f]chromen-2-yl}-34-dihydroquinazolin-4-one

SMILES

O=C1NC(C2=Cc(c3ccccc3cc3)c3OC2=O)=Nc2c1cccc2

InChI

InChI=1S/C21H12N2O3/c24-20-14-7-3-4-8-17(14)22-19(23-20)16-11-15-13-6-2-1-5-12(13)9-10-18(15)26-21(16)25/h1-11H,(H,22,23,24)

InChI Key

LKQONAXYUDYGIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.001

Distribution Coefficient, logD

1.225

Water Solubility, LogSw

-3.83

Polar Surface Area

55.541

Acid Dissociation Constant (pKa)

5.63

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1814-2209 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 1814-2209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1814-2209?
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What is the minimum amount of 1814-2209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1814-2209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1814-2209
  • 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 1814-2209 available by request