Y041-3904 Screening compound: (2Z)-2-[(2H-chromen-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,6-dimethoxybenzoate

Y041-3904 Screening compound: (2Z)-2-[(2H-chromen-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,6-dimethoxybenzoate
Y041-3904 Screening compound: (2Z)-2-[(2H-chromen-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,6-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3904
(2Z)-2-[(2H-chromen-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,6-dimethoxybenzoate

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

Y041-3904

Molecular Formula

C27H20O7 (C27 H20 O7)

Compound Name

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

IUPAC name

(2Z)-2-[(2H-chromen-3-yl)methylidene]-3-oxo-23-dihydro-1-benzofuran-6-yl 26-dimethoxybenzoate

SMILES

COc1cccc(OC)c1C(Oc(cc1)cc(O/C2=C\C3=Cc(cccc4)c4OC3)c1C2=O)=O

InChI

InChI=1S/C27H20O7/c1-30-21-8-5-9-22(31-2)25(21)27(29)33-18-10-11-19-23(14-18)34-24(26(19)28)13-16-12-17-6-3-4-7-20(17)32-15-16/h3-14H,15H2,1-2H3

InChI Key

GSWZWXTTZSUZIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06494711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.385

Distribution Coefficient, logD

4.385

Water Solubility, LogSw

-4.71

Polar Surface Area

65.372

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

Y041-3904 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 Y041-3904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3904?
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What is the minimum amount of Y041-3904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3904
  • 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 Y041-3904 available by request