C241-1878 Screening compound: 2-{4-[1-(2,5-DIMETHYLBENZYL)-2,4-DIOXO-1,4-DIHYDROTHIENO[3,2-D]PYRIMIDIN-3(2H)-YL]PHENYL}-N-(2-FURYLMETHYL)ACETAMIDE

C241-1878 Screening compound: 2-{4-[1-(2,5-DIMETHYLBENZYL)-2,4-DIOXO-1,4-DIHYDROTHIENO[3,2-D]PYRIMIDIN-3(2H)-YL]PHENYL}-N-(2-FURYLMETHYL)ACETAMIDE
C241-1878 Screening compound: 2-{4-[1-(2,5-DIMETHYLBENZYL)-2,4-DIOXO-1,4-DIHYDROTHIENO[3,2-D]PYRIMIDIN-3(2H)-YL]PHENYL}-N-(2-FURYLMETHYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1878
2-{4-[1-(2,5-DIMETHYLBENZYL)-2,4-DIOXO-1,4-DIHYDROTHIENO[3,2-D]PYRIMIDIN-3(2H)-YL]PHENYL}-N-(2-FURYLMETHYL)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

C241-1878

Molecular Formula

C28H25N3O4S (C28 H25 N3 O4 S)

Compound Name

2-{4-[1-(2,5-DIMETHYLBENZYL)-2,4-DIOXO-1,4-DIHYDROTHIENO[3,2-D]PYRIMIDIN-3(2H)-YL]PHENYL}-N-(2-FURYLMETHYL)ACETAMIDE

IUPAC name

n/a

SMILES

Cc1cc(CN(c2c(C(N3c4ccc(CC(NCc5ccco5)=O)cc4)=O)scc2)C3=O)c(C)cc1

InChI

InChI=1S/C28H25N3O4S/c1-18-5-6-19(2)21(14-18)17-30-24-11-13-36-26(24)27(33)31(28(30)34)22-9-7-20(8-10-22)15-25(32)29-16-23-4-3-12-35-23/h3-14H,15-17H2,1-2H3,(H,29,32)

InChI Key

NKQUVGZOVJDZAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.089

Distribution Coefficient, logD

5.089

Water Solubility, LogSw

-4.87

Polar Surface Area

63.622

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

C241-1878 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Protein Arginine Methyltransferases Library (27925 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
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C241-1878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1878?
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What is the minimum amount of C241-1878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1878
  • 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 C241-1878 available by request