Y502-0139 Screening compound: 9-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3,3,6,6-tetramethyl-10-phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

Y502-0139 Screening compound: 9-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3,3,6,6-tetramethyl-10-phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
Y502-0139 Screening compound: 9-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3,3,6,6-tetramethyl-10-phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-0139
9-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3,3,6,6-tetramethyl-10-phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

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

Y502-0139

Molecular Formula

C29H35N3O2 (C29 H35 N3 O2)

Compound Name

9-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3,3,6,6-tetramethyl-10-phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

IUPAC name

9-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3366-tetramethyl-10-phenyl-12345678910-decahydroacridine-18-dione

SMILES

CCn1nc(C)c(C(C2=C3CC(C)(C)CC2=O)C(C(CC(C)(C)C2)=O)=C2N3c2ccccc2)c1

InChI

InChI=1S/C29H35N3O2/c1-7-31-17-20(18(2)30-31)25-26-21(13-28(3,4)15-23(26)33)32(19-11-9-8-10-12-19)22-14-29(5,6)16-24(34)27(22)25/h8-12,17,25H,7,13-16H2,1-6H3

InChI Key

OOSFQCUDCMJFRJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.012

Distribution Coefficient, logD

4.012

Water Solubility, LogSw

-4.01

Polar Surface Area

42.958

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.28

Y502-0139 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y502-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-0139?
Check Price and Availability of Y502-0139, 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 Y502-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-0139
  • 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 Y502-0139 available by request