C241-1920 Screening compound: N-benzyl-2-(4-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}phenyl)acetamide

C241-1920 Screening compound: N-benzyl-2-(4-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}phenyl)acetamide
C241-1920 Screening compound: N-benzyl-2-(4-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1920
N-benzyl-2-(4-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}phenyl)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

C241-1920

Molecular Formula

C31H29N3O3S (C31 H29 N3 O3 S)

Compound Name

N-benzyl-2-(4-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}phenyl)acetamide

IUPAC name

N-benzyl-2-(4-{24-dioxo-1-[(246-trimethylphenyl)methyl]-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}phenyl)acetamide

SMILES

Cc1cc(C)c(CN(c2c(C(N3c4ccc(CC(NCc5ccccc5)=O)cc4)=O)scc2)C3=O)c(C)c1

InChI

InChI=1S/C31H29N3O3S/c1-20-15-21(2)26(22(3)16-20)19-33-27-13-14-38-29(27)30(36)34(31(33)37)25-11-9-23(10-12-25)17-28(35)32-18-24-7-5-4-6-8-24/h4-16H,17-19H2,1-3H3,(H,32,35)

InChI Key

DTXASPSBRYYTTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.710

Distribution Coefficient, logD

5.710

Water Solubility, LogSw

-5.39

Polar Surface Area

55.874

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.40

C241-1920 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C241-1920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1920?
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What is the minimum amount of C241-1920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1920
  • 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 C241-1920 available by request