K784-5237 Screening compound: 2-({[(2-chlorophenyl)methyl](cyclopentyl)carbamothioyl}amino)-N-[2-(morpholin-4-yl)ethyl]acetamide

K784-5237 Screening compound: 2-({[(2-chlorophenyl)methyl](cyclopentyl)carbamothioyl}amino)-N-[2-(morpholin-4-yl)ethyl]acetamide
K784-5237 Screening compound: 2-({[(2-chlorophenyl)methyl](cyclopentyl)carbamothioyl}amino)-N-[2-(morpholin-4-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5237
2-({[(2-chlorophenyl)methyl](cyclopentyl)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

K784-5237

Molecular Formula

C21H31ClN4O2S (C21 H31 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CNC(N(Cc(cccc1)c1Cl)C1CCCC1)=S)NCCN1CCOCC1

InChI

InChI=1S/C21H31ClN4O2S/c22-19-8-4-1-5-17(19)16-26(18-6-2-3-7-18)21(29)24-15-20(27)23-9-10-25-11-13-28-14-12-25/h1,4-5,8,18H,2-3,6-7,9-16H2,(H,23,27)(H,24,29)

InChI Key

APCIXIPYGXUBBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.02

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

3.014

Distribution Coefficient, logD

2.966

Water Solubility, LogSw

-3.39

Polar Surface Area

47.565

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

K784-5237 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K784-5237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5237?
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What is the minimum amount of K784-5237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5237
  • 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 K784-5237 available by request