K305-0221 Screening compound: 1-[(diethylcarbamoyl)methyl]-3-(3,4-dimethylphenyl)-N,N-diethyl-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0221 Screening compound: 1-[(diethylcarbamoyl)methyl]-3-(3,4-dimethylphenyl)-N,N-diethyl-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0221 Screening compound: 1-[(diethylcarbamoyl)methyl]-3-(3,4-dimethylphenyl)-N,N-diethyl-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0221
1-[(diethylcarbamoyl)methyl]-3-(3,4-dimethylphenyl)-N,N-diethyl-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

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

K305-0221

Molecular Formula

C26H34N4O4S (C26 H34 N4 O4 S)

Compound Name

1-[(diethylcarbamoyl)methyl]-3-(3,4-dimethylphenyl)-N,N-diethyl-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

1-[(diethylcarbamoyl)methyl]-3-(34-dimethylphenyl)-NN-diethyl-5-methyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCN(CC)C(CN(c(sc(C(N(CC)CC)=O)c1C)c1C(N1c2cc(C)c(C)cc2)=O)C1=O)=O

InChI

InChI=1S/C26H34N4O4S/c1-8-27(9-2)20(31)15-29-25-21(18(7)22(35-25)24(33)28(10-3)11-4)23(32)30(26(29)34)19-13-12-16(5)17(6)14-19/h12-14H,8-11,15H2,1-7H3

InChI Key

WKFFQJZCFGGGPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.549

Distribution Coefficient, logD

3.549

Water Solubility, LogSw

-3.85

Polar Surface Area

62.715

Acid Dissociation Constant (pKa)

22.51

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

K305-0221 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 K305-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0221?
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What is the minimum amount of K305-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0221
  • 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 K305-0221 available by request