K784-5260 Screening compound: 2-({cyclohexyl[(4-fluorophenyl)methyl]carbamothioyl}amino)-N-[2-(morpholin-4-yl)ethyl]acetamide

K784-5260 Screening compound: 2-({cyclohexyl[(4-fluorophenyl)methyl]carbamothioyl}amino)-N-[2-(morpholin-4-yl)ethyl]acetamide
K784-5260 Screening compound: 2-({cyclohexyl[(4-fluorophenyl)methyl]carbamothioyl}amino)-N-[2-(morpholin-4-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5260
2-({cyclohexyl[(4-fluorophenyl)methyl]carbamothioyl}amino)-N-[2-(morpholin-4-yl)ethyl]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

K784-5260

Molecular Formula

C22H33FN4O2S (C22 H33 FN4 O2 S)

Compound Name

2-({cyclohexyl[(4-fluorophenyl)methyl]carbamothioyl}amino)-N-[2-(morpholin-4-yl)ethyl]acetamide

IUPAC name

2-({cyclohexyl[(4-fluorophenyl)methyl]carbamothioyl}amino)-N-[2-(morpholin-4-yl)ethyl]acetamide

SMILES

O=C(CNC(N(Cc(cc1)ccc1F)C1CCCCC1)=S)NCCN1CCOCC1

InChI

InChI=1S/C22H33FN4O2S/c23-19-8-6-18(7-9-19)17-27(20-4-2-1-3-5-20)22(30)25-16-21(28)24-10-11-26-12-14-29-15-13-26/h6-9,20H,1-5,10-17H2,(H,24,28)(H,25,30)

InChI Key

SBLBODOOSZHKRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.798

Distribution Coefficient, logD

2.751

Water Solubility, LogSw

-3.08

Polar Surface Area

47.199

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

K784-5260 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

MCL1 Targeted Library (12200 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K784-5260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5260?
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What is the minimum amount of K784-5260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5260
  • 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 K784-5260 available by request