C258-0479 Screening compound: 3-(4-ethylphenyl)-1-[2-(4-methylpiperidino)-2-oxoethyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

C258-0479 Screening compound: 3-(4-ethylphenyl)-1-[2-(4-methylpiperidino)-2-oxoethyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
C258-0479 Screening compound: 3-(4-ethylphenyl)-1-[2-(4-methylpiperidino)-2-oxoethyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C258-0479
3-(4-ethylphenyl)-1-[2-(4-methylpiperidino)-2-oxoethyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-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

C258-0479

Molecular Formula

C25H29N3O3S (C25 H29 N3 O3 S)

Compound Name

3-(4-ethylphenyl)-1-[2-(4-methylpiperidino)-2-oxoethyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

IUPAC name

11-(4-ethylphenyl)-9-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)-diene-1012-dione

SMILES

CCc(cc1)ccc1N(C(c1c(N2CC(N3CCC(C)CC3)=O)sc3c1CCC3)=O)C2=O

InChI

InChI=1S/C25H29N3O3S/c1-3-17-7-9-18(10-8-17)28-23(30)22-19-5-4-6-20(19)32-24(22)27(25(28)31)15-21(29)26-13-11-16(2)12-14-26/h7-10,16H,3-6,11-15H2,1-2H3

InChI Key

JWJBFRWNKXZQES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.242

Distribution Coefficient, logD

4.242

Water Solubility, LogSw

-4.23

Polar Surface Area

47.786

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

C258-0479 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C258-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0479?
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What is the minimum amount of C258-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0479
  • 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 C258-0479 available by request