Y040-1286 Screening compound: 7-butoxy-8-chloro-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

Y040-1286 Screening compound: 7-butoxy-8-chloro-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
Y040-1286 Screening compound: 7-butoxy-8-chloro-1H,2H,3H,4H-cyclopenta[c]chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1286
7-butoxy-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

Y040-1286

Molecular Formula

C16H17ClO3 (C16 H17 ClO3)

Compound Name

7-butoxy-8-chloro-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

IUPAC name

7-butoxy-8-chloro-1H2H3H4H-cyclopenta[c]chromen-4-one

SMILES

CCCCOc(cc(c(C1=C2CCC1)c1)OC2=O)c1Cl

InChI

InChI=1S/C16H17ClO3/c1-2-3-7-19-15-9-14-12(8-13(15)17)10-5-4-6-11(10)16(18)20-14/h8-9H,2-7H2,1H3

InChI Key

FIUVZKJBXCQSBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01540169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.834

Distribution Coefficient, logD

4.834

Water Solubility, LogSw

-4.90

Polar Surface Area

28.951

Acid Dissociation Constant (pKa)

23.91

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

Y040-1286 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-1286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1286?
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What is the minimum amount of Y040-1286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1286
  • 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 Y040-1286 available by request