Y040-7594 Screening compound: 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 3,4,5-trimethoxybenzoate

Y040-7594 Screening compound: 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 3,4,5-trimethoxybenzoate
Y040-7594 Screening compound: 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7594
4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 3,4,5-trimethoxybenzoate

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

Y040-7594

Molecular Formula

C23H23ClO7 (C23 H23 ClO7)

Compound Name

4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 3,4,5-trimethoxybenzoate

IUPAC name

4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 345-trimethoxybenzoate

SMILES

CCCCC(c(c(O1)c2)cc(Cl)c2OC(c(cc2OC)cc(OC)c2OC)=O)=CC1=O

InChI

InChI=1S/C23H23ClO7/c1-5-6-7-13-10-21(25)30-17-12-18(16(24)11-15(13)17)31-23(26)14-8-19(27-2)22(29-4)20(9-14)28-3/h8-12H,5-7H2,1-4H3

InChI Key

WAUBFKVJIYQEBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03661542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.716

Distribution Coefficient, logD

4.716

Water Solubility, LogSw

-4.91

Polar Surface Area

64.088

Acid Dissociation Constant (pKa)

27.13

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

Y040-7594 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with Y040-7594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7594?
Check Price and Availability of Y040-7594, 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 Y040-7594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7594
  • 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 Y040-7594 available by request