C241-2061 Screening compound: N-[(2-chlorophenyl)methyl]-3-{2,4-dioxo-1-[(phenylcarbamoyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide

C241-2061 Screening compound: N-[(2-chlorophenyl)methyl]-3-{2,4-dioxo-1-[(phenylcarbamoyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide
C241-2061 Screening compound: N-[(2-chlorophenyl)methyl]-3-{2,4-dioxo-1-[(phenylcarbamoyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-2061
N-[(2-chlorophenyl)methyl]-3-{2,4-dioxo-1-[(phenylcarbamoyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide

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

C241-2061

Molecular Formula

C24H21ClN4O4S (C24 H21 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCN(C(c(scc1)c1N1CC(Nc2ccccc2)=O)=O)C1=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C24H21ClN4O4S/c25-18-9-5-4-6-16(18)14-26-20(30)10-12-28-23(32)22-19(11-13-34-22)29(24(28)33)15-21(31)27-17-7-2-1-3-8-17/h1-9,11,13H,10,12,14-15H2,(H,26,30)(H,27,31)

InChI Key

ZGKRJBCLCDUOFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.806

Distribution Coefficient, logD

3.806

Water Solubility, LogSw

-4.20

Polar Surface Area

79.884

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C241-2061 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 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 C241-2061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-2061?
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What is the minimum amount of C241-2061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-2061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-2061
  • 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 C241-2061 available by request