C172-0078 Screening compound: 3-(4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

C172-0078 Screening compound: 3-(4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
C172-0078 Screening compound: 3-(4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C172-0078
3-(4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

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

C172-0078

Molecular Formula

C26H26N4O3S (C26 H26 N4 O3 S)

Compound Name

3-(4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

IUPAC name

3-(4-{2-[4-(25-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-1H2H3H4H-thieno[32-d]pyrimidine-24-dione

SMILES

Cc1cc(N(CC2)CCN2C(Cc(cc2)ccc2N(C(c(scc2)c2N2)=O)C2=O)=O)c(C)cc1

InChI

InChI=1S/C26H26N4O3S/c1-17-3-4-18(2)22(15-17)28-10-12-29(13-11-28)23(31)16-19-5-7-20(8-6-19)30-25(32)24-21(9-14-34-24)27-26(30)33/h3-9,14-15H,10-13,16H2,1-2H3,(H,27,33)

InChI Key

YFZTUBALDLEGKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.126

Distribution Coefficient, logD

4.123

Water Solubility, LogSw

-4.18

Polar Surface Area

59.967

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C172-0078 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • 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 C172-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0078?
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What is the minimum amount of C172-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0078
  • 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 C172-0078 available by request