Y041-3877 Screening compound: (2Z)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl acetate

Y041-3877 Screening compound: (2Z)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl acetate
Y041-3877 Screening compound: (2Z)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3877
(2Z)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl acetate

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

Y041-3877

Molecular Formula

C19H14O6 (C19 H14 O6)

Compound Name

(2Z)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl acetate

IUPAC name

(2Z)-2-[(2H-13-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-23-dihydro-1-benzofuran-6-yl acetate

SMILES

CC(Oc(cc1)c(C)c(O/C2=C\c(cc3)cc4c3OCO4)c1C2=O)=O

InChI

InChI=1S/C19H14O6/c1-10-14(24-11(2)20)6-4-13-18(21)17(25-19(10)13)8-12-3-5-15-16(7-12)23-9-22-15/h3-8H,9H2,1-2H3

InChI Key

NIYQTDYBNNFHIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06493868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

3.514

Water Solubility, LogSw

-3.75

Polar Surface Area

59.001

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

Y041-3877 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-3877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3877?
Check Price and Availability of Y041-3877, 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 Y041-3877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3877
  • 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 Y041-3877 available by request