C241-1852 Screening compound: N-[(2-chlorophenyl)methyl]-2-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)acetamide

C241-1852 Screening compound: N-[(2-chlorophenyl)methyl]-2-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)acetamide
C241-1852 Screening compound: N-[(2-chlorophenyl)methyl]-2-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1852
N-[(2-chlorophenyl)methyl]-2-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)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

C241-1852

Molecular Formula

C24H21ClN4O5S (C24 H21 ClN4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1NC(CN(c1c(C(N2CC(NCc(cccc3)c3Cl)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C24H21ClN4O5S/c1-34-19-9-5-4-8-17(19)27-21(31)14-28-18-10-11-35-22(18)23(32)29(24(28)33)13-20(30)26-12-15-6-2-3-7-16(15)25/h2-11H,12-14H2,1H3,(H,26,30)(H,27,31)

InChI Key

LUKPVKURVBIKCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.537

Distribution Coefficient, logD

3.537

Water Solubility, LogSw

-3.71

Polar Surface Area

86.839

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C241-1852 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 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 C241-1852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1852?
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What is the minimum amount of C241-1852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1852
  • 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 C241-1852 available by request