C241-1732 Screening compound: 2-(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide

C241-1732 Screening compound: 2-(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
C241-1732 Screening compound: 2-(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1732
2-(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)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

C241-1732

Molecular Formula

C25H24N4O5S (C25 H24 N4 O5 S)

Compound Name

2-(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide

IUPAC name

2-(1-{[(3-methoxyphenyl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide

SMILES

COc1cccc(NC(CN(c2c(C(N3CC(NCCc4ccccc4)=O)=O)scc2)C3=O)=O)c1

InChI

InChI=1S/C25H24N4O5S/c1-34-19-9-5-8-18(14-19)27-22(31)16-28-20-11-13-35-23(20)24(32)29(25(28)33)15-21(30)26-12-10-17-6-3-2-4-7-17/h2-9,11,13-14H,10,12,15-16H2,1H3,(H,26,30)(H,27,31)

InChI Key

QXOOBLJGRWSYFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.843

Distribution Coefficient, logD

2.843

Water Solubility, LogSw

-3.47

Polar Surface Area

87.291

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C241-1732 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)

Human Kinases Annotated Library (2415 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 C241-1732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1732?
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What is the minimum amount of C241-1732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1732
  • 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 C241-1732 available by request