Y508-9553 Screening compound: 17-[(E)-2-((E)-1-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methylidene)hydrazono]-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol

Y508-9553 Screening compound: 17-[(E)-2-((E)-1-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methylidene)hydrazono]-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol
Y508-9553 Screening compound: 17-[(E)-2-((E)-1-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methylidene)hydrazono]-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-9553
17-[(E)-2-((E)-1-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methylidene)hydrazono]-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol

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

Y508-9553

Molecular Formula

C33H35FN2O3 (C33 H35 FN2 O3)

Compound Name

17-[(E)-2-((E)-1-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methylidene)hydrazono]-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol

IUPAC name

n/a

SMILES

CC(CC1)(C(CC2)C(CC3)C1c(cc1)c3cc1O)/C2=N/N=C/c(cc1)cc(COc(cc2)ccc2F)c1OC

InChI

InChI=1S/C33H35FN2O3/c1-33-16-15-28-27-11-7-25(37)18-22(27)4-10-29(28)30(33)12-14-32(33)36-35-19-21-3-13-31(38-2)23(17-21)20-39-26-8-5-24(34)6-9-26/h3,5-9,11,13,17-19,28-30,37H,4,10,12,14-16,20H2,1-2H3

InChI Key

ACZOJDSSONXVNU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.716

Distribution Coefficient, logD

6.716

Water Solubility, LogSw

-6.02

Polar Surface Area

51.578

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

39.40

References: we are preparing a list of scientific research reports with Y508-9553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-9553?
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What is the minimum amount of Y508-9553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-9553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-9553
  • 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 Y508-9553 available by request