5436-1122 Screening compound: 3-(4-chlorophenyl)-4-methyl-9,10-dihydrocyclopenta[c]furo[2,3-f]chromen-7(8H)-one

5436-1122 Screening compound: 3-(4-chlorophenyl)-4-methyl-9,10-dihydrocyclopenta[c]furo[2,3-f]chromen-7(8H)-one
5436-1122 Screening compound: 3-(4-chlorophenyl)-4-methyl-9,10-dihydrocyclopenta[c]furo[2,3-f]chromen-7(8H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5436-1122
3-(4-chlorophenyl)-4-methyl-9,10-dihydrocyclopenta[c]furo[2,3-f]chromen-7(8H)-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

5436-1122

Molecular Formula

C21H15ClO3 (C21 H15 ClO3)

Compound Name

3-(4-chlorophenyl)-4-methyl-9,10-dihydrocyclopenta[c]furo[2,3-f]chromen-7(8H)-one

IUPAC name

5-(4-chlorophenyl)-7-methyl-310-dioxatetracyclo[7.7.0.0^{26}.0^{1216}]hexadeca-146812(16)-pentaen-11-one

SMILES

Cc1c(c(-c(cc2)ccc2Cl)co2)c2c(C(CCC2)=C2C(O2)=O)c2c1

InChI

InChI=1S/C21H15ClO3/c1-11-9-17-19(14-3-2-4-15(14)21(23)25-17)20-18(11)16(10-24-20)12-5-7-13(22)8-6-12/h5-10H,2-4H2,1H3

InChI Key

XEXBHVHAAGTODS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02057872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.406

Distribution Coefficient, logD

5.406

Water Solubility, LogSw

-6.07

Polar Surface Area

30.968

Acid Dissociation Constant (pKa)

23.84

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

5436-1122 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 5436-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5436-1122?
Check Price and Availability of 5436-1122, 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 5436-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5436-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5436-1122
  • 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 5436-1122 available by request