Y041-5299 Screening compound: 7-[(2-fluorophenyl)methoxy]-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one

Y041-5299 Screening compound: 7-[(2-fluorophenyl)methoxy]-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
Y041-5299 Screening compound: 7-[(2-fluorophenyl)methoxy]-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5299
7-[(2-fluorophenyl)methoxy]-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-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

Y041-5299

Molecular Formula

C25H27FO2 (C25 H27 FO2)

Compound Name

7-[(2-fluorophenyl)methoxy]-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one

IUPAC name

(11aS)-7-[(2-fluorophenyl)methoxy]-11a-methyl-1H2H3H3aH3bH4H5H9bH10H11H11aH-cyclopenta[a]phenanthren-1-one

SMILES

CC(CC1)(C(CC2)C(CC3)C1c(cc1)c3cc1OCc(cccc1)c1F)C2=O

InChI

InChI=1S/C25H27FO2/c1-25-13-12-20-19-9-7-18(28-15-17-4-2-3-5-23(17)26)14-16(19)6-8-21(20)22(25)10-11-24(25)27/h2-5,7,9,14,20-22H,6,8,10-13,15H2,1H3/t20?,21?,22?,25-/m0/s1

InChI Key

PMPCWMKSIYMXOF-DJYNTIJESA-N

MDL Number (MFCD)

MFCD02059417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.300

Distribution Coefficient, logD

5.300

Water Solubility, LogSw

-5.43

Polar Surface Area

20.842

Acid Dissociation Constant (pKa)

19.91

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

48.00

Y041-5299 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Glucocorticoid receptors Library (4806 compounds)

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y041-5299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5299?
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What is the minimum amount of Y041-5299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5299
  • 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 Y041-5299 available by request