Y041-4476 Screening compound: (2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate

Y041-4476 Screening compound: (2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate
Y041-4476 Screening compound: (2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4476
(2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate

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

Y041-4476

Molecular Formula

C24H22O5 (C24 H22 O5)

Compound Name

(2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate

IUPAC name

(2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-23-dihydro-1-benzofuran-6-yl 22-dimethylpropanoate

SMILES

CC1Oc(cccc2)c2C=C1/C=C1\Oc(cc(cc2)OC(C(C)(C)C)=O)c2C1=O

InChI

InChI=1S/C24H22O5/c1-14-16(11-15-7-5-6-8-19(15)27-14)12-21-22(25)18-10-9-17(13-20(18)29-21)28-23(26)24(2,3)4/h5-14H,1-4H3/t14-/m0/s1

InChI Key

MDRSYEXWHJXPOV-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06493242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.433

Distribution Coefficient, logD

5.433

Water Solubility, LogSw

-5.54

Polar Surface Area

49.664

Acid Dissociation Constant (pKa)

29.70

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y041-4476 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y041-4476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4476?
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What is the minimum amount of Y041-4476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4476
  • 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 Y041-4476 available by request