K784-4869 Screening compound: 4-({[(4-chlorophenyl)methyl][(4-methoxyphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid

K784-4869 Screening compound: 4-({[(4-chlorophenyl)methyl][(4-methoxyphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
K784-4869 Screening compound: 4-({[(4-chlorophenyl)methyl][(4-methoxyphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4869
4-({[(4-chlorophenyl)methyl][(4-methoxyphenyl)carbamothioyl]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

K784-4869

Molecular Formula

C23H27ClN2O3S (C23 H27 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(N(CC(CC1)CCC1C(O)=O)Cc(cc1)ccc1Cl)=S

InChI

InChI=1S/C23H27ClN2O3S/c1-29-21-12-10-20(11-13-21)25-23(30)26(15-17-4-8-19(24)9-5-17)14-16-2-6-18(7-3-16)22(27)28/h4-5,8-13,16,18H,2-3,6-7,14-15H2,1H3,(H,25,30)(H,27,28)

InChI Key

FQTNDGGQFZPGRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.111

Distribution Coefficient, logD

2.551

Water Solubility, LogSw

-5.22

Polar Surface Area

46.572

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

K784-4869 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 K784-4869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4869?
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What is the minimum amount of K784-4869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4869
  • 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 K784-4869 available by request