1311-2242 Screening compound: 3-benzyl-4-methyl-7-(propan-2-yloxy)-2H-chromen-2-one

1311-2242 Screening compound: 3-benzyl-4-methyl-7-(propan-2-yloxy)-2H-chromen-2-one
1311-2242 Screening compound: 3-benzyl-4-methyl-7-(propan-2-yloxy)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1311-2242
3-benzyl-4-methyl-7-(propan-2-yloxy)-2H-chromen-2-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

1311-2242

Molecular Formula

C20H20O3 (C20 H20 O3)

Compound Name

3-benzyl-4-methyl-7-(propan-2-yloxy)-2H-chromen-2-one

IUPAC name

3-benzyl-4-methyl-7-(propan-2-yloxy)-2H-chromen-2-one

SMILES

CC(C)Oc(cc1)cc(O2)c1C(C)=C(Cc1ccccc1)C2=O

InChI

InChI=1S/C20H20O3/c1-13(2)22-16-9-10-17-14(3)18(20(21)23-19(17)12-16)11-15-7-5-4-6-8-15/h4-10,12-13H,11H2,1-3H3

InChI Key

LTQARGCBZHMPLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.629

Distribution Coefficient, logD

4.629

Water Solubility, LogSw

-4.67

Polar Surface Area

27.691

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1311-2242 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Frequent Hitters Library (7624 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Structure:
  • Pool
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1311-2242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1311-2242?
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What is the minimum amount of 1311-2242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1311-2242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1311-2242
  • 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 1311-2242 available by request