K784-4549 Screening compound: 4-({[(2-chlorophenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid

K784-4549 Screening compound: 4-({[(2-chlorophenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
K784-4549 Screening compound: 4-({[(2-chlorophenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4549
4-({[(2-chlorophenyl)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

K784-4549

Molecular Formula

C23H27ClN2O2S (C23 H27 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CN(CC(CC2)CCC2C(O)=O)C(Nc(cccc2)c2Cl)=S)cccc1

InChI

InChI=1S/C23H27ClN2O2S/c1-16-6-2-3-7-19(16)15-26(14-17-10-12-18(13-11-17)22(27)28)23(29)25-21-9-5-4-8-20(21)24/h2-9,17-18H,10-15H2,1H3,(H,25,29)(H,27,28)

InChI Key

HWHBWOTZBIRZOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431

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

5.833

Distribution Coefficient, logD

3.273

Water Solubility, LogSw

-5.47

Polar Surface Area

38.330

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

K784-4549 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 K784-4549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4549?
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What is the minimum amount of K784-4549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4549
  • 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 K784-4549 available by request