5436-0917 Screening compound: 9-(3-fluoro-4-methoxyphenyl)-6-methyl-2,3-dihydrocyclopenta[c]furo[3,2-g]chromen-4(1H)-one

5436-0917 Screening compound: 9-(3-fluoro-4-methoxyphenyl)-6-methyl-2,3-dihydrocyclopenta[c]furo[3,2-g]chromen-4(1H)-one
5436-0917 Screening compound: 9-(3-fluoro-4-methoxyphenyl)-6-methyl-2,3-dihydrocyclopenta[c]furo[3,2-g]chromen-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5436-0917
9-(3-fluoro-4-methoxyphenyl)-6-methyl-2,3-dihydrocyclopenta[c]furo[3,2-g]chromen-4(1H)-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

5436-0917

Molecular Formula

C22H17FO4 (C22 H17 FO4)

Compound Name

9-(3-fluoro-4-methoxyphenyl)-6-methyl-2,3-dihydrocyclopenta[c]furo[3,2-g]chromen-4(1H)-one

IUPAC name

14-(3-fluoro-4-methoxyphenyl)-10-methyl-812-dioxatetracyclo[7.7.0.0^{26}.0^{1115}]hexadeca-1(16)2(6)911(15)13-pentaen-7-one

SMILES

Cc(c1c(cc2C3=C4CCC3)c(-c(cc3)cc(F)c3OC)co1)c2OC4=O

InChI

InChI=1S/C22H17FO4/c1-11-20-16(9-15-13-4-3-5-14(13)22(24)27-21(11)15)17(10-26-20)12-6-7-19(25-2)18(23)8-12/h6-10H,3-5H2,1-2H3

InChI Key

QKWQJKZRWXIIHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01958155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.911

Distribution Coefficient, logD

4.911

Water Solubility, LogSw

-4.83

Polar Surface Area

38.282

Acid Dissociation Constant (pKa)

24.21

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

5436-0917 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5436-0917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5436-0917?
Check Price and Availability of 5436-0917, 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 5436-0917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5436-0917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5436-0917
  • 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 5436-0917 available by request