Y041-4506 Screening compound: (2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl N,N-diethylcarbamate

Y041-4506 Screening compound: (2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl N,N-diethylcarbamate
Y041-4506 Screening compound: (2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4506
(2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl N,N-diethylcarbamate

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

Y041-4506

Molecular Formula

C24H23NO5 (C24 H23 NO5)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)C(Oc(cc1)cc(O/C2=C\C3=Cc(cccc4)c4OC3C)c1C2=O)=O

InChI

InChI=1S/C24H23NO5/c1-4-25(5-2)24(27)29-18-10-11-19-21(14-18)30-22(23(19)26)13-17-12-16-8-6-7-9-20(16)28-15(17)3/h6-15H,4-5H2,1-3H3/t15-/m0/s1

InChI Key

ZYKATCBQYQJHTA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06493047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.011

Distribution Coefficient, logD

5.011

Water Solubility, LogSw

-4.64

Polar Surface Area

50.895

Acid Dissociation Constant (pKa)

29.70

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y041-4506 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y041-4506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4506?
Check Price and Availability of Y041-4506, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y041-4506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4506
  • 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 Y041-4506 available by request