K784-4547 Screening compound: 4-({[(4-ethylphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid

K784-4547 Screening compound: 4-({[(4-ethylphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
K784-4547 Screening compound: 4-({[(4-ethylphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4547
4-({[(4-ethylphenyl)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

K784-4547

Molecular Formula

C25H32N2O2S (C25 H32 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(N(CC(CC1)CCC1C(O)=O)Cc1c(C)cccc1)=S

InChI

InChI=1S/C25H32N2O2S/c1-3-19-10-14-23(15-11-19)26-25(30)27(17-22-7-5-4-6-18(22)2)16-20-8-12-21(13-9-20)24(28)29/h4-7,10-11,14-15,20-21H,3,8-9,12-13,16-17H2,1-2H3,(H,26,30)(H,28,29)

InChI Key

MOXXVWOCFAOINH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.369

Distribution Coefficient, logD

3.809

Water Solubility, LogSw

-5.42

Polar Surface Area

39.028

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

K784-4547 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 K784-4547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4547?
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What is the minimum amount of K784-4547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4547
  • 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 K784-4547 available by request