K305-0461 Screening compound: 7-acetyl-3-(2-methoxyphenyl)-1-(4-methylbenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

K305-0461 Screening compound: 7-acetyl-3-(2-methoxyphenyl)-1-(4-methylbenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
K305-0461 Screening compound: 7-acetyl-3-(2-methoxyphenyl)-1-(4-methylbenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0461
7-acetyl-3-(2-methoxyphenyl)-1-(4-methylbenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

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

K305-0461

Molecular Formula

C26H25N3O4S (C26 H25 N3 O4 S)

Compound Name

7-acetyl-3-(2-methoxyphenyl)-1-(4-methylbenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

11-acetyl-4-(2-methoxyphenyl)-6-[(4-methylphenyl)methyl]-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

CC(N(CC1)Cc2c1c(C(N(c(cccc1)c1OC)C(N1Cc3ccc(C)cc3)=O)=O)c1s2)=O

InChI

InChI=1S/C26H25N3O4S/c1-16-8-10-18(11-9-16)14-28-25-23(19-12-13-27(17(2)30)15-22(19)34-25)24(31)29(26(28)32)20-6-4-5-7-21(20)33-3/h4-11H,12-15H2,1-3H3

InChI Key

KCNLMCSJGZRJRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.942

Distribution Coefficient, logD

3.942

Water Solubility, LogSw

-4.25

Polar Surface Area

55.486

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

K305-0461 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Purinergic Library (3321 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K305-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0461?
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What is the minimum amount of K305-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0461
  • 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 K305-0461 available by request