Y040-8158 Screening compound: 7-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethoxy)-8-chloro-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

Y040-8158 Screening compound: 7-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethoxy)-8-chloro-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
Y040-8158 Screening compound: 7-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethoxy)-8-chloro-1H,2H,3H,4H-cyclopenta[c]chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8158
7-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethoxy)-8-chloro-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

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

Y040-8158

Molecular Formula

C26H19ClO4 (C26 H19 ClO4)

Compound Name

7-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethoxy)-8-chloro-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

IUPAC name

7-(2-{[11'-biphenyl]-4-yl}-2-oxoethoxy)-8-chloro-1H2H3H4H-cyclopenta[c]chromen-4-one

SMILES

O=C(COc(cc(c(C1=C2CCC1)c1)OC2=O)c1Cl)c(cc1)ccc1-c1ccccc1

InChI

InChI=1S/C26H19ClO4/c27-22-13-21-19-7-4-8-20(19)26(29)31-24(21)14-25(22)30-15-23(28)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h1-3,5-6,9-14H,4,7-8,15H2

InChI Key

SOJNQYFTUVVMMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03146204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.012

Distribution Coefficient, logD

6.012

Water Solubility, LogSw

-6.18

Polar Surface Area

41.736

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

Y040-8158 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y040-8158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8158?
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What is the minimum amount of Y040-8158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8158
  • 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 Y040-8158 available by request