K285-0130 Screening compound: ethyl 3-[2-(4-chlorophenyl)ethyl]-2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

K285-0130 Screening compound: ethyl 3-[2-(4-chlorophenyl)ethyl]-2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
K285-0130 Screening compound: ethyl 3-[2-(4-chlorophenyl)ethyl]-2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K285-0130
ethyl 3-[2-(4-chlorophenyl)ethyl]-2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-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

K285-0130

Molecular Formula

C20H18ClN3O3S2 (C20 H18 ClN3 O3 S2)

Compound Name

ethyl 3-[2-(4-chlorophenyl)ethyl]-2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 3-[2-(4-chlorophenyl)ethyl]-2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCOC(c1c(C)c(C(N(CCc(cc2)ccc2Cl)C(SCC#N)=N2)=O)c2s1)=O

InChI

InChI=1S/C20H18ClN3O3S2/c1-3-27-19(26)16-12(2)15-17(29-16)23-20(28-11-9-22)24(18(15)25)10-8-13-4-6-14(21)7-5-13/h4-7H,3,8,10-11H2,1-2H3

InChI Key

BGFPWTDXPPEZML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.246

Distribution Coefficient, logD

4.246

Water Solubility, LogSw

-4.79

Polar Surface Area

64.169

Acid Dissociation Constant (pKa)

25.82

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

K285-0130 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with K285-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K285-0130?
Check Price and Availability of K285-0130, 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 K285-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K285-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K285-0130
  • 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 K285-0130 available by request