K305-0490 Screening compound: ethyl 1-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate

K305-0490 Screening compound: ethyl 1-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
K305-0490 Screening compound: ethyl 1-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0490
ethyl 1-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate

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

K305-0490

Molecular Formula

C26H23ClN4O5S (C26 H23 ClN4 O5 S)

Compound Name

ethyl 1-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate

IUPAC name

ethyl 4-(4-chlorophenyl)-35-dioxo-6-[(phenylcarbamoyl)methyl]-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-11-carboxylate

SMILES

CCOC(N(CC1)Cc2c1c(C(N(c(cc1)ccc1Cl)C(N1CC(Nc3ccccc3)=O)=O)=O)c1s2)=O

InChI

InChI=1S/C26H23ClN4O5S/c1-2-36-26(35)29-13-12-19-20(14-29)37-24-22(19)23(33)31(18-10-8-16(27)9-11-18)25(34)30(24)15-21(32)28-17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,28,32)

InChI Key

CEJRHTIDARHMDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.279

Distribution Coefficient, logD

4.279

Water Solubility, LogSw

-4.86

Polar Surface Area

76.890

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K305-0490 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K305-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0490?
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What is the minimum amount of K305-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0490
  • 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 K305-0490 available by request