K784-4550 Screening compound: 4-({[(2-methylphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid

K784-4550 Screening compound: 4-({[(2-methylphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
K784-4550 Screening compound: 4-({[(2-methylphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4550
4-({[(2-methylphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid

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

K784-4550

Molecular Formula

C24H30N2O2S (C24 H30 N2 O2 S)

Compound Name

4-({[(2-methylphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid

IUPAC name

4-({[(2-methylphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid

SMILES

Cc1c(CN(CC(CC2)CCC2C(O)=O)C(Nc2c(C)cccc2)=S)cccc1

InChI

InChI=1S/C24H30N2O2S/c1-17-7-3-5-9-21(17)16-26(15-19-11-13-20(14-12-19)23(27)28)24(29)25-22-10-6-4-8-18(22)2/h3-10,19-20H,11-16H2,1-2H3,(H,25,29)(H,27,28)

InChI Key

BILHQZAKRRPXFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.577

Distribution Coefficient, logD

3.017

Water Solubility, LogSw

-5.34

Polar Surface Area

38.330

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

K784-4550 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K784-4550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4550?
Check Price and Availability of K784-4550, 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 K784-4550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4550
  • 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 K784-4550 available by request