C066-1950 Screening compound: 6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

C066-1950 Screening compound: 6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
C066-1950 Screening compound: 6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1950
6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

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

C066-1950

Molecular Formula

C26H30F3N5O4S2 (C26 H30 F3 N5 O4 S2)

Compound Name

6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

CC(CC1)CCN1S(c1c(C)sc(N=CN2CC(N(CC3)CCN3c3cc(C(F)(F)F)ccc3)=O)c1C2=O)(=O)=O

InChI

InChI=1S/C26H30F3N5O4S2/c1-17-6-8-34(9-7-17)40(37,38)23-18(2)39-24-22(23)25(36)33(16-30-24)15-21(35)32-12-10-31(11-13-32)20-5-3-4-19(14-20)26(27,28)29/h3-5,14,16-17H,6-13,15H2,1-2H3

InChI Key

PHOPGMDAOKXUES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.058

Distribution Coefficient, logD

3.058

Water Solubility, LogSw

-3.41

Polar Surface Area

77.605

Acid Dissociation Constant (pKa)

26.18

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C066-1950 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C066-1950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1950?
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What is the minimum amount of C066-1950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1950
  • 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 C066-1950 available by request