K840-0333 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-3-ethyl-N-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K840-0333 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-3-ethyl-N-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K840-0333 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-3-ethyl-N-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K840-0333
N-{[4-(dimethylamino)phenyl]methyl}-3-ethyl-N-[(furan-2-yl)methyl]-5-methyl-4-oxo-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

K840-0333

Molecular Formula

C24H26N4O3S (C24 H26 N4 O3 S)

Compound Name

N-{[4-(dimethylamino)phenyl]methyl}-3-ethyl-N-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-{[4-(dimethylamino)phenyl]methyl}-3-ethyl-N-[(furan-2-yl)methyl]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCN(C=Nc1c2c(C)c(C(N(Cc3ccco3)Cc(cc3)ccc3N(C)C)=O)s1)C2=O

InChI

InChI=1S/C24H26N4O3S/c1-5-27-15-25-22-20(23(27)29)16(2)21(32-22)24(30)28(14-19-7-6-12-31-19)13-17-8-10-18(11-9-17)26(3)4/h6-12,15H,5,13-14H2,1-4H3

InChI Key

HSNLMXNAMXJLIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

3.357

Water Solubility, LogSw

-3.67

Polar Surface Area

52.731

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

K840-0333 in Drug Discovery

Included in Screening Libraries

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

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K840-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K840-0333?
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What is the minimum amount of K840-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K840-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K840-0333
  • 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 K840-0333 available by request