4182-0252 Screening compound: methyl 2-[(3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate

4182-0252 Screening compound: methyl 2-[(3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate
4182-0252 Screening compound: methyl 2-[(3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4182-0252
methyl 2-[(3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate

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

4182-0252

Molecular Formula

C21H20O5 (C21 H20 O5)

Compound Name

methyl 2-[(3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate

IUPAC name

methyl 2-[(3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate

SMILES

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

InChI

InChI=1S/C21H20O5/c1-13-17-10-9-16(25-14(2)20(22)24-3)12-19(17)26-21(23)18(13)11-15-7-5-4-6-8-15/h4-10,12,14H,11H2,1-3H3/t14-/m0/s1

InChI Key

IELFYDBXQUSUSK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02920816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.849

Distribution Coefficient, logD

3.849

Water Solubility, LogSw

-4.13

Polar Surface Area

48.851

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

4182-0252 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4182-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4182-0252?
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What is the minimum amount of 4182-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4182-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4182-0252
  • 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 4182-0252 available by request