K892-0233 Screening compound: N-butyl-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K892-0233 Screening compound: N-butyl-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K892-0233 Screening compound: N-butyl-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0233
N-butyl-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-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

K892-0233

Molecular Formula

C21H21F3N4O3S (C21 H21 F3 N4 O3 S)

Compound Name

N-butyl-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-butyl-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCCCNC(c1c(C)c(C(N(CC(Nc2cc(C(F)(F)F)ccc2)=O)C=N2)=O)c2s1)=O

InChI

InChI=1S/C21H21F3N4O3S/c1-3-4-8-25-18(30)17-12(2)16-19(32-17)26-11-28(20(16)31)10-15(29)27-14-7-5-6-13(9-14)21(22,23)24/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,25,30)(H,27,29)

InChI Key

LPYCCFIFNYGIJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.856

Distribution Coefficient, logD

3.855

Water Solubility, LogSw

-4.10

Polar Surface Area

73.917

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K892-0233 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 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 K892-0233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0233?
Check Price and Availability of K892-0233, 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 K892-0233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0233
  • 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 K892-0233 available by request