K781-0841 Screening compound: 1-(4-methoxyphenyl)-4-[2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyridine-3-carbonyl]piperazine

K781-0841 Screening compound: 1-(4-methoxyphenyl)-4-[2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyridine-3-carbonyl]piperazine
K781-0841 Screening compound: 1-(4-methoxyphenyl)-4-[2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyridine-3-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-0841
1-(4-methoxyphenyl)-4-[2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyridine-3-carbonyl]piperazine

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

K781-0841

Molecular Formula

C25H24F3N3O2S (C25 H24 F3 N3 O2 S)

Compound Name

1-(4-methoxyphenyl)-4-[2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyridine-3-carbonyl]piperazine

IUPAC name

1-(4-methoxyphenyl)-4-[2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyridine-3-carbonyl]piperazine

SMILES

COc(cc1)ccc1N(CC1)CCN1C(c1cccnc1SCc1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C25H24F3N3O2S/c1-33-21-10-8-20(9-11-21)30-13-15-31(16-14-30)24(32)22-3-2-12-29-23(22)34-17-18-4-6-19(7-5-18)25(26,27)28/h2-12H,13-17H2,1H3

InChI Key

KYWYEJZKYMKASA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.610

Distribution Coefficient, logD

4.610

Water Solubility, LogSw

-4.38

Polar Surface Area

36.599

Acid Dissociation Constant (pKa)

25.71

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

K781-0841 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K781-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0841?
Check Price and Availability of K781-0841, 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 K781-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0841
  • 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 K781-0841 available by request