C258-0474 Screening compound: 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(4-ethylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

C258-0474 Screening compound: 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(4-ethylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
C258-0474 Screening compound: 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(4-ethylphenyl)-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 C258-0474
1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(4-ethylphenyl)-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

C258-0474

Molecular Formula

C25H21ClN2O3S (C25 H21 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1N(C(c1c(N2CC(c(cc3)ccc3Cl)=O)sc3c1CCC3)=O)C2=O

InChI

InChI=1S/C25H21ClN2O3S/c1-2-15-6-12-18(13-7-15)28-23(30)22-19-4-3-5-21(19)32-24(22)27(25(28)31)14-20(29)16-8-10-17(26)11-9-16/h6-13H,2-5,14H2,1H3

InChI Key

GTZPSQCPDKLPOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.521

Distribution Coefficient, logD

5.521

Water Solubility, LogSw

-6.13

Polar Surface Area

44.640

Acid Dissociation Constant (pKa)

19.18

Base Dissociation Constant (pKb)

-10.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C258-0474 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 compounds)

Protein Arginine Methyltransferases Library (27925 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
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 C258-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0474?
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What is the minimum amount of C258-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0474
  • 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 C258-0474 available by request