Y508-8899 Screening compound: 16-[(E)-1-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol

Y508-8899 Screening compound: 16-[(E)-1-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol
Y508-8899 Screening compound: 16-[(E)-1-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-8899
16-[(E)-1-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-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

Y508-8899

Molecular Formula

C25H32N2O2 (C25 H32 N2 O2)

Compound Name

16-[(E)-1-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol

IUPAC name

n/a

SMILES

CC(CC1)(C(C/C2=C\c3cn(C)nc3C)C(CC3)C1c(cc1)c3cc1OC)C2O

InChI

InChI=1S/C25H32N2O2/c1-15-18(14-27(3)26-15)11-17-13-23-22-7-5-16-12-19(29-4)6-8-20(16)21(22)9-10-25(23,2)24(17)28/h6,8,11-12,14,21-24,28H,5,7,9-10,13H2,1-4H3

InChI Key

MEPYNTVXLJQGPP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.179

Distribution Coefficient, logD

4.179

Water Solubility, LogSw

-4.68

Polar Surface Area

38.310

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

56.00

References: we are preparing a list of scientific research reports with Y508-8899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-8899?
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What is the minimum amount of Y508-8899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-8899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-8899
  • 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 Y508-8899 available by request