C241-1041 Screening compound: 2-[2,4-DIOXO-3-PHENYL-3,4-DIHYDROTHIENO[3,2-D]PYRIMIDIN-1(2H)-YL]-N-(4-METHYLBENZYL)ACETAMIDE

C241-1041 Screening compound: 2-[2,4-DIOXO-3-PHENYL-3,4-DIHYDROTHIENO[3,2-D]PYRIMIDIN-1(2H)-YL]-N-(4-METHYLBENZYL)ACETAMIDE
C241-1041 Screening compound: 2-[2,4-DIOXO-3-PHENYL-3,4-DIHYDROTHIENO[3,2-D]PYRIMIDIN-1(2H)-YL]-N-(4-METHYLBENZYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1041
2-[2,4-DIOXO-3-PHENYL-3,4-DIHYDROTHIENO[3,2-D]PYRIMIDIN-1(2H)-YL]-N-(4-METHYLBENZYL)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

C241-1041

Molecular Formula

C22H19N3O3S (C22 H19 N3 O3 S)

Compound Name

2-[2,4-DIOXO-3-PHENYL-3,4-DIHYDROTHIENO[3,2-D]PYRIMIDIN-1(2H)-YL]-N-(4-METHYLBENZYL)ACETAMIDE

IUPAC name

n/a

SMILES

Cc1ccc(CNC(CN(c2c(C(N3c4ccccc4)=O)scc2)C3=O)=O)cc1

InChI

InChI=1S/C22H19N3O3S/c1-15-7-9-16(10-8-15)13-23-19(26)14-24-18-11-12-29-20(18)21(27)25(22(24)28)17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H,23,26)

InChI Key

PJZGLDPXEAUQLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.196

Distribution Coefficient, logD

3.196

Water Solubility, LogSw

-3.38

Polar Surface Area

56.145

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.00

C241-1041 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C241-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1041?
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What is the minimum amount of C241-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1041
  • 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 C241-1041 available by request