Y501-0859 Screening compound: methyl 4-(3,4-dimethylphenyl)-2-{[(2-phenyl-4-quinolyl)carbonyl]amino}-3-thiophenecarboxylate

Y501-0859 Screening compound: methyl 4-(3,4-dimethylphenyl)-2-{[(2-phenyl-4-quinolyl)carbonyl]amino}-3-thiophenecarboxylate
Y501-0859 Screening compound: methyl 4-(3,4-dimethylphenyl)-2-{[(2-phenyl-4-quinolyl)carbonyl]amino}-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-0859
methyl 4-(3,4-dimethylphenyl)-2-{[(2-phenyl-4-quinolyl)carbonyl]amino}-3-thiophenecarboxylate

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

Y501-0859

Molecular Formula

C30H24N2O3S (C30 H24 N2 O3 S)

Compound Name

methyl 4-(3,4-dimethylphenyl)-2-{[(2-phenyl-4-quinolyl)carbonyl]amino}-3-thiophenecarboxylate

IUPAC name

methyl 4-(34-dimethylphenyl)-2-(2-phenylquinoline-4-amido)thiophene-3-carboxylate

SMILES

Cc(cc1)c(C)cc1-c1csc(NC(c2cc(-c3ccccc3)nc3ccccc23)=O)c1C(OC)=O

InChI

InChI=1S/C30H24N2O3S/c1-18-13-14-21(15-19(18)2)24-17-36-29(27(24)30(34)35-3)32-28(33)23-16-26(20-9-5-4-6-10-20)31-25-12-8-7-11-22(23)25/h4-17H,1-3H3,(H,32,33)

InChI Key

AHCNABAWTOGHNC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.638

Distribution Coefficient, logD

7.629

Water Solubility, LogSw

-5.99

Polar Surface Area

52.085

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

Y501-0859 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y501-0859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-0859?
Check Price and Availability of Y501-0859, 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 Y501-0859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-0859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-0859
  • 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 Y501-0859 available by request