4182-0909 Screening compound: methyl 2-({8-hexyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)propanoate

4182-0909 Screening compound: methyl 2-({8-hexyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)propanoate
4182-0909 Screening compound: methyl 2-({8-hexyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4182-0909
methyl 2-({8-hexyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)propanoate

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

4182-0909

Molecular Formula

C22H28O5 (C22 H28 O5)

Compound Name

methyl 2-({8-hexyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)propanoate

IUPAC name

methyl 2-({8-hexyl-4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl}oxy)propanoate

SMILES

CCCCCCc(c(OC(C)C(OC)=O)c1)cc(C2=C3CCC2)c1OC3=O

InChI

InChI=1S/C22H28O5/c1-4-5-6-7-9-15-12-18-16-10-8-11-17(16)22(24)27-20(18)13-19(15)26-14(2)21(23)25-3/h12-14H,4-11H2,1-3H3/t14-/m0/s1

InChI Key

WDCRBXKCSKPKOD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03029628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.618

Distribution Coefficient, logD

5.618

Water Solubility, LogSw

-5.25

Polar Surface Area

49.496

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

4182-0909 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 4182-0909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4182-0909?
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What is the minimum amount of 4182-0909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4182-0909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4182-0909
  • 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 4182-0909 available by request