C241-2135 Screening compound: 2-(4-{1-[(3-chlorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}phenyl)-N-[(4-methylphenyl)methyl]acetamide

C241-2135 Screening compound: 2-(4-{1-[(3-chlorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}phenyl)-N-[(4-methylphenyl)methyl]acetamide
C241-2135 Screening compound: 2-(4-{1-[(3-chlorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}phenyl)-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-2135
2-(4-{1-[(3-chlorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}phenyl)-N-[(4-methylphenyl)methyl]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

C241-2135

Molecular Formula

C29H24ClN3O3S (C29 H24 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(Cc(cc2)ccc2N(C(c(scc2)c2N2Cc3cccc(Cl)c3)=O)C2=O)=O)cc1

InChI

InChI=1S/C29H24ClN3O3S/c1-19-5-7-21(8-6-19)17-31-26(34)16-20-9-11-24(12-10-20)33-28(35)27-25(13-14-37-27)32(29(33)36)18-22-3-2-4-23(30)15-22/h2-15H,16-18H2,1H3,(H,31,34)

InChI Key

XMXVLQDCJBOIQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.05

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

5.371

Distribution Coefficient, logD

5.371

Water Solubility, LogSw

-5.77

Polar Surface Area

55.874

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

C241-2135 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 C241-2135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-2135?
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What is the minimum amount of C241-2135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-2135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-2135
  • 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 C241-2135 available by request