Y040-2476 Screening compound: 4-[({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)methyl]benzonitrile

Y040-2476 Screening compound: 4-[({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)methyl]benzonitrile
Y040-2476 Screening compound: 4-[({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2476
4-[({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)methyl]benzonitrile

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

Y040-2476

Molecular Formula

C21H17NO3 (C21 H17 NO3)

Compound Name

4-[({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)methyl]benzonitrile

IUPAC name

4-[({6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl}oxy)methyl]benzonitrile

SMILES

N#Cc1ccc(COc(cc2)cc(O3)c2C(CCCC2)=C2C3=O)cc1

InChI

InChI=1S/C21H17NO3/c22-12-14-5-7-15(8-6-14)13-24-16-9-10-18-17-3-1-2-4-19(17)21(23)25-20(18)11-16/h5-11H,1-4,13H2

InChI Key

AHPMGBASZWNSDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03155006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.308

Distribution Coefficient, logD

4.308

Water Solubility, LogSw

-4.55

Polar Surface Area

45.364

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

Y040-2476 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y040-2476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2476?
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What is the minimum amount of Y040-2476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2476
  • 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 Y040-2476 available by request