C242-0328 Screening compound: 2-[3-(2,4-dimethoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C242-0328 Screening compound: 2-[3-(2,4-dimethoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
C242-0328 Screening compound: 2-[3-(2,4-dimethoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C242-0328
2-[3-(2,4-dimethoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

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

C242-0328

Molecular Formula

C26H27N3O5S (C26 H27 N3 O5 S)

Compound Name

2-[3-(2,4-dimethoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

IUPAC name

2-[3-(24-dimethoxyphenyl)-56-dimethyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1c(C)sc(N(CC(NCc2ccc(C)cc2)=O)C(N2c(ccc(OC)c3)c3OC)=O)c1C2=O

InChI

InChI=1S/C26H27N3O5S/c1-15-6-8-18(9-7-15)13-27-22(30)14-28-25-23(16(2)17(3)35-25)24(31)29(26(28)32)20-11-10-19(33-4)12-21(20)34-5/h6-12H,13-14H2,1-5H3,(H,27,30)

InChI Key

QOCDCJVNLUZAPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.209

Distribution Coefficient, logD

4.209

Water Solubility, LogSw

-4.49

Polar Surface Area

70.452

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C242-0328 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C242-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C242-0328?
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What is the minimum amount of C242-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C242-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C242-0328
  • 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 C242-0328 available by request