K305-0506 Screening compound: ethyl 1-(1H-1,3-benzimidazol-2-ylmethyl)-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

K305-0506 Screening compound: ethyl 1-(1H-1,3-benzimidazol-2-ylmethyl)-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
K305-0506 Screening compound: ethyl 1-(1H-1,3-benzimidazol-2-ylmethyl)-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 K305-0506
ethyl 1-(1H-1,3-benzimidazol-2-ylmethyl)-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

K305-0506

Molecular Formula

C26H22ClN5O4S (C26 H22 ClN5 O4 S)

Compound Name

ethyl 1-(1H-1,3-benzimidazol-2-ylmethyl)-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 6-[(1H-13-benzodiazol-2-yl)methyl]-4-(4-chlorophenyl)-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(N1Cc3nc(cccc4)c4[nH]3)=O)=O)c1s2)=O

InChI

InChI=1S/C26H22ClN5O4S/c1-2-36-26(35)30-12-11-17-20(13-30)37-24-22(17)23(33)32(16-9-7-15(27)8-10-16)25(34)31(24)14-21-28-18-5-3-4-6-19(18)29-21/h3-10H,2,11-14H2,1H3,(H,28,29)

InChI Key

IJLGFPXBAOPIQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.667

Distribution Coefficient, logD

4.667

Water Solubility, LogSw

-5.02

Polar Surface Area

74.023

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K305-0506 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K305-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0506?
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What is the minimum amount of K305-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0506
  • 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 K305-0506 available by request