C242-0078 Screening compound: 3-(4-ethoxyphenyl)-5,6-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione

C242-0078 Screening compound: 3-(4-ethoxyphenyl)-5,6-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
C242-0078 Screening compound: 3-(4-ethoxyphenyl)-5,6-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C242-0078
3-(4-ethoxyphenyl)-5,6-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-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

C242-0078

Molecular Formula

C24H29N3O4S (C24 H29 N3 O4 S)

Compound Name

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

IUPAC name

3-(4-ethoxyphenyl)-56-dimethyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1H2H3H4H-thieno[23-d]pyrimidine-24-dione

SMILES

CCOc(cc1)ccc1N(C(c1c(N2CC(N3C(C)CCCC3)=O)sc(C)c1C)=O)C2=O

InChI

InChI=1S/C24H29N3O4S/c1-5-31-19-11-9-18(10-12-19)27-22(29)21-16(3)17(4)32-23(21)26(24(27)30)14-20(28)25-13-7-6-8-15(25)2/h9-12,15H,5-8,13-14H2,1-4H3/t15-/m0/s1

InChI Key

ZVNLHZVVUVTWGT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14734963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

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

3.645

Distribution Coefficient, logD

3.645

Water Solubility, LogSw

-3.85

Polar Surface Area

53.908

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

C242-0078 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C242-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C242-0078?
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What is the minimum amount of C242-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C242-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C242-0078
  • 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 C242-0078 available by request