K305-0507 Screening compound: ethyl 3-(4-chlorophenyl)-1-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate

K305-0507 Screening compound: ethyl 3-(4-chlorophenyl)-1-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
K305-0507 Screening compound: ethyl 3-(4-chlorophenyl)-1-[2-(2-fluoroanilino)-2-oxoethyl]-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 K305-0507
ethyl 3-(4-chlorophenyl)-1-[2-(2-fluoroanilino)-2-oxoethyl]-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

K305-0507

Molecular Formula

C26H22ClFN4O5S (C26 H22 ClFN4 O5 S)

Compound Name

ethyl 3-(4-chlorophenyl)-1-[2-(2-fluoroanilino)-2-oxoethyl]-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)-6-{[(2-fluorophenyl)carbamoyl]methyl}-35-dioxo-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(Nc(cccc3)c3F)=O)=O)=O)c1s2)=O

InChI

InChI=1S/C26H22ClFN4O5S/c1-2-37-26(36)30-12-11-17-20(13-30)38-24-22(17)23(34)32(16-9-7-15(27)8-10-16)25(35)31(24)14-21(33)29-19-6-4-3-5-18(19)28/h3-10H,2,11-14H2,1H3,(H,29,33)

InChI Key

QBFDCPUTFGEGSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557

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

4.251

Distribution Coefficient, logD

4.251

Water Solubility, LogSw

-4.88

Polar Surface Area

76.193

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K305-0507 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 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 K305-0507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0507?
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What is the minimum amount of K305-0507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0507
  • 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 K305-0507 available by request