C242-0029 Screening compound: 3-(4-ethoxyphenyl)-5,6-dimethyl-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione

C242-0029 Screening compound: 3-(4-ethoxyphenyl)-5,6-dimethyl-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
C242-0029 Screening compound: 3-(4-ethoxyphenyl)-5,6-dimethyl-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C242-0029
3-(4-ethoxyphenyl)-5,6-dimethyl-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1H,2H,3H,4H-thieno[2,3-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

C242-0029

Molecular Formula

C27H27N3O4S (C27 H27 N3 O4 S)

Compound Name

3-(4-ethoxyphenyl)-5,6-dimethyl-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione

IUPAC name

3-(4-ethoxyphenyl)-56-dimethyl-1-[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]-1H2H3H4H-thieno[23-d]pyrimidine-24-dione

SMILES

CCOc(cc1)ccc1N(C(c1c(N2CC(N(CCC3)c4c3cccc4)=O)sc(C)c1C)=O)C2=O

InChI

InChI=1S/C27H27N3O4S/c1-4-34-21-13-11-20(12-14-21)30-25(32)24-17(2)18(3)35-26(24)29(27(30)33)16-23(31)28-15-7-9-19-8-5-6-10-22(19)28/h5-6,8,10-14H,4,7,9,15-16H2,1-3H3

InChI Key

IVPHPZDXWLTUBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.426

Distribution Coefficient, logD

4.426

Water Solubility, LogSw

-4.27

Polar Surface Area

53.288

Acid Dissociation Constant (pKa)

20.93

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C242-0029 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 C242-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C242-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C242-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C242-0029
  • 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 C242-0029 available by request