K786-4136 Screening compound: N-{5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-[(4-methylphenyl)sulfanyl]phenyl}acetamide

K786-4136 Screening compound: N-{5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-[(4-methylphenyl)sulfanyl]phenyl}acetamide
K786-4136 Screening compound: N-{5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-[(4-methylphenyl)sulfanyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4136
N-{5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-[(4-methylphenyl)sulfanyl]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

K786-4136

Molecular Formula

C26H26FN3O2S (C26 H26 FN3 O2 S)

Compound Name

N-{5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-[(4-methylphenyl)sulfanyl]phenyl}acetamide

IUPAC name

N-{5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-[(4-methylphenyl)sulfanyl]phenyl}acetamide

SMILES

CC(Nc(cc(cc1)C(N(CC2)CCN2c(cccc2)c2F)=O)c1Sc1ccc(C)cc1)=O

InChI

InChI=1S/C26H26FN3O2S/c1-18-7-10-21(11-8-18)33-25-12-9-20(17-23(25)28-19(2)31)26(32)30-15-13-29(14-16-30)24-6-4-3-5-22(24)27/h3-12,17H,13-16H2,1-2H3,(H,28,31)

InChI Key

SMYHJHQEMPBDNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.569

Distribution Coefficient, logD

4.569

Water Solubility, LogSw

-4.29

Polar Surface Area

42.139

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K786-4136 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K786-4136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4136?
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What is the minimum amount of K786-4136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4136
  • 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 K786-4136 available by request