K784-5248 Screening compound: 2-({[(2-chlorophenyl)methyl](cyclopentyl)carbamothioyl}amino)-N-cyclopentylacetamide

K784-5248 Screening compound: 2-({[(2-chlorophenyl)methyl](cyclopentyl)carbamothioyl}amino)-N-cyclopentylacetamide
K784-5248 Screening compound: 2-({[(2-chlorophenyl)methyl](cyclopentyl)carbamothioyl}amino)-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5248
2-({[(2-chlorophenyl)methyl](cyclopentyl)carbamothioyl}amino)-N-cyclopentylacetamide

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

K784-5248

Molecular Formula

C20H28ClN3OS (C20 H28 ClN3 OS)

Compound Name

2-({[(2-chlorophenyl)methyl](cyclopentyl)carbamothioyl}amino)-N-cyclopentylacetamide

IUPAC name

2-({[(2-chlorophenyl)methyl](cyclopentyl)carbamothioyl}amino)-N-cyclopentylacetamide

SMILES

O=C(CNC(N(Cc(cccc1)c1Cl)C1CCCC1)=S)NC1CCCC1

InChI

InChI=1S/C20H28ClN3OS/c21-18-12-6-1-7-15(18)14-24(17-10-4-5-11-17)20(26)22-13-19(25)23-16-8-2-3-9-16/h1,6-7,12,16-17H,2-5,8-11,13-14H2,(H,22,26)(H,23,25)

InChI Key

BJTVXSIWCOEWAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.898

Distribution Coefficient, logD

4.898

Water Solubility, LogSw

-4.90

Polar Surface Area

35.923

Acid Dissociation Constant (pKa)

16.52

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

K784-5248 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K784-5248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5248?
Check Price and Availability of K784-5248, 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 K784-5248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5248
  • 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 K784-5248 available by request