C242-0963 Screening compound: 1-[(3-fluorophenyl)methyl]-5,6-dimethyl-3-(2-phenylethyl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione

C242-0963 Screening compound: 1-[(3-fluorophenyl)methyl]-5,6-dimethyl-3-(2-phenylethyl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
C242-0963 Screening compound: 1-[(3-fluorophenyl)methyl]-5,6-dimethyl-3-(2-phenylethyl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C242-0963
1-[(3-fluorophenyl)methyl]-5,6-dimethyl-3-(2-phenylethyl)-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

C242-0963

Molecular Formula

C23H21FN2O2S (C23 H21 FN2 O2 S)

Compound Name

1-[(3-fluorophenyl)methyl]-5,6-dimethyl-3-(2-phenylethyl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione

IUPAC name

1-[(3-fluorophenyl)methyl]-56-dimethyl-3-(2-phenylethyl)-1H2H3H4H-thieno[23-d]pyrimidine-24-dione

SMILES

Cc1c(C)sc(N(Cc2cc(F)ccc2)C(N2CCc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C23H21FN2O2S/c1-15-16(2)29-22-20(15)21(27)25(12-11-17-7-4-3-5-8-17)23(28)26(22)14-18-9-6-10-19(24)13-18/h3-10,13H,11-12,14H2,1-2H3

InChI Key

SSIZDGJJAXGNDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.575

Distribution Coefficient, logD

5.575

Water Solubility, LogSw

-5.51

Polar Surface Area

31.697

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

-10.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C242-0963 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 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

References: we are preparing a list of scientific research reports with C242-0963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C242-0963?
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What is the minimum amount of C242-0963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C242-0963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C242-0963
  • 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 C242-0963 available by request