K305-0488 Screening compound: 2-[7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide

K305-0488 Screening compound: 2-[7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide
K305-0488 Screening compound: 2-[7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0488
2-[7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide

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

K305-0488

Molecular Formula

C25H22N4O4S (C25 H22 N4 O4 S)

Compound Name

2-[7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide

IUPAC name

2-{11-acetyl-35-dioxo-4-phenyl-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-6-yl}-N-phenylacetamide

SMILES

CC(N(CC1)Cc2c1c(C(N(c1ccccc1)C(N1CC(Nc3ccccc3)=O)=O)=O)c1s2)=O

InChI

InChI=1S/C25H22N4O4S/c1-16(30)27-13-12-19-20(14-27)34-24-22(19)23(32)29(18-10-6-3-7-11-18)25(33)28(24)15-21(31)26-17-8-4-2-5-9-17/h2-11H,12-15H2,1H3,(H,26,31)

InChI Key

IXMOQKLDMRKFLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.634

Distribution Coefficient, logD

2.634

Water Solubility, LogSw

-3.01

Polar Surface Area

71.306

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K305-0488 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Purinergic Library (3321 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Others
  • GPCR
  • Ion Channels
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K305-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0488?
Check Price and Availability of K305-0488, 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 K305-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0488
  • 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 K305-0488 available by request