Y501-9158 Screening compound: 10-(4-methoxyphenyl)-3,3,6,6-tetramethyl-9-(1-methyl-1H-pyrazol-4-yl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

Y501-9158 Screening compound: 10-(4-methoxyphenyl)-3,3,6,6-tetramethyl-9-(1-methyl-1H-pyrazol-4-yl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
Y501-9158 Screening compound: 10-(4-methoxyphenyl)-3,3,6,6-tetramethyl-9-(1-methyl-1H-pyrazol-4-yl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-9158
10-(4-methoxyphenyl)-3,3,6,6-tetramethyl-9-(1-methyl-1H-pyrazol-4-yl)-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

Y501-9158

Molecular Formula

C28H33N3O3 (C28 H33 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(N(C(CC(C)(C)C2)=C(C3c4cn(C)nc4)C2=O)c(cc2)ccc2OC)=C3C1=O

InChI

InChI=1S/C28H33N3O3/c1-27(2)11-20-25(22(32)13-27)24(17-15-29-30(5)16-17)26-21(12-28(3,4)14-23(26)33)31(20)18-7-9-19(34-6)10-8-18/h7-10,15-16,24H,11-14H2,1-6H3

InChI Key

SSTWFNSKANAZCT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.409

Distribution Coefficient, logD

3.409

Water Solubility, LogSw

-3.39

Polar Surface Area

50.456

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.43

Y501-9158 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 Y501-9158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-9158?
Check Price and Availability of Y501-9158, 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 Y501-9158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-9158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-9158
  • 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 Y501-9158 available by request