K889-0599 Screening compound: 2,5-dimethyl-4-(2-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

K889-0599 Screening compound: 2,5-dimethyl-4-(2-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
K889-0599 Screening compound: 2,5-dimethyl-4-(2-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K889-0599
2,5-dimethyl-4-(2-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

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

K889-0599

Molecular Formula

C22H23F3N4OS (C22 H23 F3 N4 OS)

Compound Name

2,5-dimethyl-4-(2-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

25-dimethyl-4-(2-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]thieno[23-d]pyrimidine-6-carboxamide

SMILES

CC(CCCC1)N1c1c(c(C)c(C(Nc2cc(C(F)(F)F)ccc2)=O)s2)c2nc(C)n1

InChI

InChI=1S/C22H23F3N4OS/c1-12-7-4-5-10-29(12)19-17-13(2)18(31-21(17)27-14(3)26-19)20(30)28-16-9-6-8-15(11-16)22(23,24)25/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,28,30)/t12-/m0/s1

InChI Key

KFZZMQVRKSUBJK-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD15110969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.878

Distribution Coefficient, logD

5.802

Water Solubility, LogSw

-5.85

Polar Surface Area

45.289

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

K889-0599 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with K889-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K889-0599?
Check Price and Availability of K889-0599, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K889-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K889-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K889-0599
  • 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 K889-0599 available by request