C258-0645 Screening compound: 1-(2,5-dimethylbenzyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

C258-0645 Screening compound: 1-(2,5-dimethylbenzyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
C258-0645 Screening compound: 1-(2,5-dimethylbenzyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C258-0645
1-(2,5-dimethylbenzyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,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

C258-0645

Molecular Formula

C25H24N2O2S (C25 H24 N2 O2 S)

Compound Name

1-(2,5-dimethylbenzyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

6-[(25-dimethylphenyl)methyl]-4-phenyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

Cc1cc(CN(c(sc2c3CCCC2)c3C(N2c3ccccc3)=O)C2=O)c(C)cc1

InChI

InChI=1S/C25H24N2O2S/c1-16-12-13-17(2)18(14-16)15-26-24-22(20-10-6-7-11-21(20)30-24)23(28)27(25(26)29)19-8-4-3-5-9-19/h3-5,8-9,12-14H,6-7,10-11,15H2,1-2H3

InChI Key

FMIWLZYTBJOEPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.981

Distribution Coefficient, logD

5.981

Water Solubility, LogSw

-5.39

Polar Surface Area

31.028

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-9.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C258-0645 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C258-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0645?
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What is the minimum amount of C258-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0645
  • 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 C258-0645 available by request