C242-1089 Screening compound: 1-[(2,4-dimethylphenyl)methyl]-5,6-dimethyl-3-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione

C242-1089 Screening compound: 1-[(2,4-dimethylphenyl)methyl]-5,6-dimethyl-3-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
C242-1089 Screening compound: 1-[(2,4-dimethylphenyl)methyl]-5,6-dimethyl-3-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C242-1089
1-[(2,4-dimethylphenyl)methyl]-5,6-dimethyl-3-[3-(trifluoromethyl)phenyl]-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

C242-1089

Molecular Formula

C24H21F3N2O2S (C24 H21 F3 N2 O2 S)

Compound Name

1-[(2,4-dimethylphenyl)methyl]-5,6-dimethyl-3-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione

IUPAC name

1-[(24-dimethylphenyl)methyl]-56-dimethyl-3-[3-(trifluoromethyl)phenyl]-1H2H3H4H-thieno[23-d]pyrimidine-24-dione

SMILES

Cc1c(C)sc(N(Cc2c(C)cc(C)cc2)C(N2c3cc(C(F)(F)F)ccc3)=O)c1C2=O

InChI

InChI=1S/C24H21F3N2O2S/c1-13-8-9-17(14(2)10-13)12-28-22-20(15(3)16(4)32-22)21(30)29(23(28)31)19-7-5-6-18(11-19)24(25,26)27/h5-11H,12H2,1-4H3

InChI Key

RULIQBKAFUYUAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.363

Distribution Coefficient, logD

6.363

Water Solubility, LogSw

-5.67

Polar Surface Area

31.107

Acid Dissociation Constant (pKa)

26.68

Base Dissociation Constant (pKb)

-10.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C242-1089 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C242-1089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C242-1089?
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What is the minimum amount of C242-1089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C242-1089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C242-1089
  • 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 C242-1089 available by request