Y040-4819 Screening compound: 10-butyl-5-methyl-2-(2,3,4-trimethoxyphenyl)-2H,3H,4H,8H-pyrano[2,3-f]chromene-4,8-dione

Y040-4819 Screening compound: 10-butyl-5-methyl-2-(2,3,4-trimethoxyphenyl)-2H,3H,4H,8H-pyrano[2,3-f]chromene-4,8-dione
Y040-4819 Screening compound: 10-butyl-5-methyl-2-(2,3,4-trimethoxyphenyl)-2H,3H,4H,8H-pyrano[2,3-f]chromene-4,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4819
10-butyl-5-methyl-2-(2,3,4-trimethoxyphenyl)-2H,3H,4H,8H-pyrano[2,3-f]chromene-4,8-dione

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

Y040-4819

Molecular Formula

C26H28O7 (C26 H28 O7)

Compound Name

10-butyl-5-methyl-2-(2,3,4-trimethoxyphenyl)-2H,3H,4H,8H-pyrano[2,3-f]chromene-4,8-dione

IUPAC name

10-butyl-5-methyl-2-(234-trimethoxyphenyl)-2H3H4H8H-pyrano[23-f]chromene-48-dione

SMILES

CCCCC(c(c(OC(C1)c(ccc(OC)c2OC)c2OC)c(c(C)c2)C1=O)c2O1)=CC1=O

InChI

InChI=1S/C26H28O7/c1-6-7-8-15-12-21(28)32-20-11-14(2)22-17(27)13-19(33-26(22)23(15)20)16-9-10-18(29-3)25(31-5)24(16)30-4/h9-12,19H,6-8,13H2,1-5H3/t19-/m0/s1

InChI Key

RLLRBTGQYHYMIO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD12029000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.152

Distribution Coefficient, logD

5.152

Water Solubility, LogSw

-5.22

Polar Surface Area

63.359

Acid Dissociation Constant (pKa)

20.06

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

Y040-4819 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y040-4819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4819?
Check Price and Availability of Y040-4819, 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 Y040-4819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4819
  • 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 Y040-4819 available by request