K847-0168 Screening compound: 2,5-dimethyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K847-0168 Screening compound: 2,5-dimethyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K847-0168 Screening compound: 2,5-dimethyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K847-0168
2,5-dimethyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-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

K847-0168

Molecular Formula

C16H12F3N3O2S (C16 H12 F3 N3 O2 S)

Compound Name

2,5-dimethyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

n/a

SMILES

Cc1c(C(Nc2cc(C(F)(F)F)ccc2)=O)sc(N=C(C)N2)c1C2=O

InChI

InChI=1S/C16H12F3N3O2S/c1-7-11-13(23)20-8(2)21-15(11)25-12(7)14(24)22-10-5-3-4-9(6-10)16(17,18)19/h3-6H,1-2H3,(H,22,24)(H,20,21,23)

InChI Key

IJFMQEWVLSNIQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

3.171

Water Solubility, LogSw

-3.84

Polar Surface Area

56.828

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

References: we are preparing a list of scientific research reports with K847-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K847-0168?
Check Price and Availability of K847-0168, 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 K847-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K847-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K847-0168
  • 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 K847-0168 available by request