K840-0246 Screening compound: ethyl 2-{3,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-amido}benzoate

K840-0246 Screening compound: ethyl 2-{3,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-amido}benzoate
K840-0246 Screening compound: ethyl 2-{3,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K840-0246
ethyl 2-{3,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-amido}benzoate

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

K840-0246

Molecular Formula

C18H17N3O4S (C18 H17 N3 O4 S)

Compound Name

ethyl 2-{3,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-amido}benzoate

IUPAC name

ethyl 2-{35-dimethyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-amido}benzoate

SMILES

CCOC(c(cccc1)c1NC(c1c(C)c(C(N(C)C=N2)=O)c2s1)=O)=O

InChI

InChI=1S/C18H17N3O4S/c1-4-25-18(24)11-7-5-6-8-12(11)20-15(22)14-10(2)13-16(26-14)19-9-21(3)17(13)23/h5-9H,4H2,1-3H3,(H,20,22)

InChI Key

SIWYUVWEUFHYHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02939377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.248

Distribution Coefficient, logD

1.017

Water Solubility, LogSw

-2.92

Polar Surface Area

69.375

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K840-0246 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K840-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K840-0246?
Check Price and Availability of K840-0246, 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 K840-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K840-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K840-0246
  • 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 K840-0246 available by request