Y501-0676 Screening compound: 2,7,7-trimethyl-N-(5-methyl-2-pyridyl)-4-(3-methyl-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

Y501-0676 Screening compound: 2,7,7-trimethyl-N-(5-methyl-2-pyridyl)-4-(3-methyl-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
Y501-0676 Screening compound: 2,7,7-trimethyl-N-(5-methyl-2-pyridyl)-4-(3-methyl-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-0676
2,7,7-trimethyl-N-(5-methyl-2-pyridyl)-4-(3-methyl-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

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

Y501-0676

Molecular Formula

C24H27N3O2S (C24 H27 N3 O2 S)

Compound Name

2,7,7-trimethyl-N-(5-methyl-2-pyridyl)-4-(3-methyl-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

IUPAC name

277-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

CC(C)(C1)CC(NC(C)=C(C2c3c(C)ccs3)C(Nc3ncc(C)cc3)=O)=C2C1=O

InChI

InChI=1S/C24H27N3O2S/c1-13-6-7-18(25-12-13)27-23(29)19-15(3)26-16-10-24(4,5)11-17(28)20(16)21(19)22-14(2)8-9-30-22/h6-9,12,21,26H,10-11H2,1-5H3,(H,25,27,29)/t21-/m0/s1

InChI Key

LXDJLNHKZGXNCN-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.834

Distribution Coefficient, logD

2.653

Water Solubility, LogSw

-4.41

Polar Surface Area

57.735

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

Y501-0676 in Drug Discovery

Included in Screening Libraries

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 Y501-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-0676?
Check Price and Availability of Y501-0676, 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 Y501-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-0676
  • 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 Y501-0676 available by request