Y040-5269 Screening compound: N-(2,4-dimethoxyphenyl)-2-[(4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl)oxy]acetamide

Y040-5269 Screening compound: N-(2,4-dimethoxyphenyl)-2-[(4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl)oxy]acetamide
Y040-5269 Screening compound: N-(2,4-dimethoxyphenyl)-2-[(4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl)oxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5269
N-(2,4-dimethoxyphenyl)-2-[(4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl)oxy]acetamide

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

Y040-5269

Molecular Formula

C24H27NO6 (C24 H27 NO6)

Compound Name

N-(2,4-dimethoxyphenyl)-2-[(4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl)oxy]acetamide

IUPAC name

N-(24-dimethoxyphenyl)-2-{4-oxo-34-dihydrospiro[1-benzopyran-21'-cyclohexan]-7-yloxy}acetamide

SMILES

COc(cc1)cc(OC)c1NC(COc(cc1)cc(OC2(CCCCC2)C2)c1C2=O)=O

InChI

InChI=1S/C24H27NO6/c1-28-16-7-9-19(22(12-16)29-2)25-23(27)15-30-17-6-8-18-20(26)14-24(31-21(18)13-17)10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,25,27)

InChI Key

ZNGISIFIQLWMSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18159490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.886

Distribution Coefficient, logD

3.886

Water Solubility, LogSw

-4.18

Polar Surface Area

64.075

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

Y040-5269 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y040-5269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5269?
Check Price and Availability of Y040-5269, 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 Y040-5269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5269
  • 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 Y040-5269 available by request