K892-0125 Screening compound: 5-methyl-4-oxo-N-(quinolin-3-yl)-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K892-0125 Screening compound: 5-methyl-4-oxo-N-(quinolin-3-yl)-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K892-0125 Screening compound: 5-methyl-4-oxo-N-(quinolin-3-yl)-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0125
5-methyl-4-oxo-N-(quinolin-3-yl)-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

K892-0125

Molecular Formula

C26H18F3N5O3S (C26 H18 F3 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(Nc2cc3ccccc3nc2)=O)sc(N=CN2CC(Nc3cc(C(F)(F)F)ccc3)=O)c1C2=O

InChI

InChI=1S/C26H18F3N5O3S/c1-14-21-24(38-22(14)23(36)33-18-9-15-5-2-3-8-19(15)30-11-18)31-13-34(25(21)37)12-20(35)32-17-7-4-6-16(10-17)26(27,28)29/h2-11,13H,12H2,1H3,(H,32,35)(H,33,36)

InChI Key

HSUWJSDNUKTILS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

4.538

Water Solubility, LogSw

-4.70

Polar Surface Area

81.334

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

K892-0125 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer

References: we are preparing a list of scientific research reports with K892-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0125?
Check Price and Availability of K892-0125, 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 K892-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0125
  • 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 K892-0125 available by request