K892-0176 Screening compound: 2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)-3H,4H-thieno[2,3-d]pyrimidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

K892-0176 Screening compound: 2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)-3H,4H-thieno[2,3-d]pyrimidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
K892-0176 Screening compound: 2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)-3H,4H-thieno[2,3-d]pyrimidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0176
2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)-3H,4H-thieno[2,3-d]pyrimidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

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

K892-0176

Molecular Formula

C27H24F3N5O3S (C27 H24 F3 N5 O3 S)

Compound Name

2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)-3H,4H-thieno[2,3-d]pyrimidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)-3H4H-thieno[23-d]pyrimidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

Cc1c(C(N(CC2)CCN2c2ccccc2)=O)sc(N=CN2CC(Nc3cc(C(F)(F)F)ccc3)=O)c1C2=O

InChI

InChI=1S/C27H24F3N5O3S/c1-17-22-24(39-23(17)26(38)34-12-10-33(11-13-34)20-8-3-2-4-9-20)31-16-35(25(22)37)15-21(36)32-19-7-5-6-18(14-19)27(28,29)30/h2-9,14,16H,10-13,15H2,1H3,(H,32,36)

InChI Key

MAUWJTKSIMWWDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.265

Distribution Coefficient, logD

4.265

Water Solubility, LogSw

-4.34

Polar Surface Area

69.299

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

K892-0176 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with K892-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0176?
Check Price and Availability of K892-0176, 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 K892-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0176
  • 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 K892-0176 available by request