4182-0253 Screening compound: ethyl 2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoate

4182-0253 Screening compound: ethyl 2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoate
4182-0253 Screening compound: ethyl 2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4182-0253
ethyl 2-[(3-benzyl-4,8-dimethyl-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

4182-0253

Molecular Formula

C23H24O5 (C23 H24 O5)

Compound Name

ethyl 2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoate

IUPAC name

ethyl 2-[(3-benzyl-48-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoate

SMILES

CCOC(C(C)Oc(cc1)c(C)c(O2)c1C(C)=C(Cc1ccccc1)C2=O)=O

InChI

InChI=1S/C23H24O5/c1-5-26-22(24)16(4)27-20-12-11-18-14(2)19(13-17-9-7-6-8-10-17)23(25)28-21(18)15(20)3/h6-12,16H,5,13H2,1-4H3/t16-/m0/s1

InChI Key

HQWKKQGUOYTEJA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01930495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.878

Distribution Coefficient, logD

4.878

Water Solubility, LogSw

-4.78

Polar Surface Area

48.202

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

4182-0253 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4182-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4182-0253?
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What is the minimum amount of 4182-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4182-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4182-0253
  • 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 4182-0253 available by request