C242-1111 Screening compound: 5,6-dimethyl-1-[(2-methylphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione

C242-1111 Screening compound: 5,6-dimethyl-1-[(2-methylphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
C242-1111 Screening compound: 5,6-dimethyl-1-[(2-methylphenyl)methyl]-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 C242-1111
5,6-dimethyl-1-[(2-methylphenyl)methyl]-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

C242-1111

Molecular Formula

C23H19F3N2O2S (C23 H19 F3 N2 O2 S)

Compound Name

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

IUPAC name

56-dimethyl-1-[(2-methylphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1H2H3H4H-thieno[23-d]pyrimidine-24-dione

SMILES

Cc1c(C)sc(N(Cc2c(C)cccc2)C(N2c3cc(C(F)(F)F)ccc3)=O)c1C2=O

InChI

InChI=1S/C23H19F3N2O2S/c1-13-7-4-5-8-16(13)12-27-21-19(14(2)15(3)31-21)20(29)28(22(27)30)18-10-6-9-17(11-18)23(24,25)26/h4-11H,12H2,1-3H3

InChI Key

WSMHRWALAFNIEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.48

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

6.074

Distribution Coefficient, logD

6.074

Water Solubility, LogSw

-5.70

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

21.70

C242-1111 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C242-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C242-1111?
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What is the minimum amount of C242-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C242-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C242-1111
  • 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 C242-1111 available by request