K786-2913 Screening compound: N-{2-[(4-chlorophenyl)sulfanyl]-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl}acetamide

K786-2913 Screening compound: N-{2-[(4-chlorophenyl)sulfanyl]-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl}acetamide
K786-2913 Screening compound: N-{2-[(4-chlorophenyl)sulfanyl]-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2913
N-{2-[(4-chlorophenyl)sulfanyl]-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}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

K786-2913

Molecular Formula

C26H23ClF3N3O2S (C26 H23 ClF3 N3 O2 S)

Compound Name

N-{2-[(4-chlorophenyl)sulfanyl]-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl}acetamide

IUPAC name

N-{2-[(4-chlorophenyl)sulfanyl]-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl}acetamide

SMILES

CC(Nc(cc(cc1)C(N(CC2)CCN2c2cc(C(F)(F)F)ccc2)=O)c1Sc(cc1)ccc1Cl)=O

InChI

InChI=1S/C26H23ClF3N3O2S/c1-17(34)31-23-15-18(5-10-24(23)36-22-8-6-20(27)7-9-22)25(35)33-13-11-32(12-14-33)21-4-2-3-19(16-21)26(28,29)30/h2-10,15-16H,11-14H2,1H3,(H,31,34)

InChI Key

YGSPCDOJEDRRPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.363

Distribution Coefficient, logD

5.363

Water Solubility, LogSw

-6.06

Polar Surface Area

42.440

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with K786-2913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2913?
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What is the minimum amount of K786-2913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2913
  • 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 K786-2913 available by request