C258-0382 Screening compound: 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenyl-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

C258-0382 Screening compound: 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenyl-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
C258-0382 Screening compound: 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenyl-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 C258-0382
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenyl-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

C258-0382

Molecular Formula

C23H17FN2O3S (C23 H17 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(sc1c2CCC1)c2C(N1c2ccccc2)=O)C1=O)c(cc1)ccc1F

InChI

InChI=1S/C23H17FN2O3S/c24-15-11-9-14(10-12-15)18(27)13-25-22-20(17-7-4-8-19(17)30-22)21(28)26(23(25)29)16-5-2-1-3-6-16/h1-3,5-6,9-12H,4,7-8,13H2

InChI Key

IUUWYIKCEOOSNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.903

Distribution Coefficient, logD

3.903

Water Solubility, LogSw

-4.45

Polar Surface Area

44.640

Acid Dissociation Constant (pKa)

19.18

Base Dissociation Constant (pKb)

-10.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C258-0382 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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 C258-0382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0382?
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What is the minimum amount of C258-0382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0382
  • 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 C258-0382 available by request