K305-0421 Screening compound: methyl 5-methyl-1-{[(3-methylphenyl)carbamoyl]methyl}-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

K305-0421 Screening compound: methyl 5-methyl-1-{[(3-methylphenyl)carbamoyl]methyl}-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
K305-0421 Screening compound: methyl 5-methyl-1-{[(3-methylphenyl)carbamoyl]methyl}-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0421
methyl 5-methyl-1-{[(3-methylphenyl)carbamoyl]methyl}-2,4-dioxo-3-phenyl-1H,2H,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

K305-0421

Molecular Formula

C24H21N3O5S (C24 H21 N3 O5 S)

Compound Name

methyl 5-methyl-1-{[(3-methylphenyl)carbamoyl]methyl}-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

methyl 5-methyl-1-{[(3-methylphenyl)carbamoyl]methyl}-24-dioxo-3-phenyl-1H2H3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

Cc1c(C(OC)=O)sc(N(CC(Nc2cc(C)ccc2)=O)C(N2c3ccccc3)=O)c1C2=O

InChI

InChI=1S/C24H21N3O5S/c1-14-8-7-9-16(12-14)25-18(28)13-26-22-19(15(2)20(33-22)23(30)32-3)21(29)27(24(26)31)17-10-5-4-6-11-17/h4-12H,13H2,1-3H3,(H,25,28)

InChI Key

CZJBEIJOBABOCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.749

Distribution Coefficient, logD

3.749

Water Solubility, LogSw

-4.11

Polar Surface Area

75.430

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K305-0421 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K305-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0421?
Check Price and Availability of K305-0421, 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 K305-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0421
  • 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 K305-0421 available by request