K784-4728 Screening compound: 4-({[(5-chloro-2-methoxyphenyl)carbamothioyl][(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoic acid

K784-4728 Screening compound: 4-({[(5-chloro-2-methoxyphenyl)carbamothioyl][(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoic acid
K784-4728 Screening compound: 4-({[(5-chloro-2-methoxyphenyl)carbamothioyl][(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4728
4-({[(5-chloro-2-methoxyphenyl)carbamothioyl][(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoic 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

K784-4728

Molecular Formula

C25H25ClN2O5S (C25 H25 ClN2 O5 S)

Compound Name

4-({[(5-chloro-2-methoxyphenyl)carbamothioyl][(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoic acid

IUPAC name

4-({[(5-chloro-2-methoxyphenyl)carbamothioyl][(34-dimethoxyphenyl)methyl]amino}methyl)benzoic acid

SMILES

COc(ccc(Cl)c1)c1NC(N(Cc(cc1)ccc1C(O)=O)Cc(cc1)cc(OC)c1OC)=S

InChI

InChI=1S/C25H25ClN2O5S/c1-31-21-11-9-19(26)13-20(21)27-25(34)28(14-16-4-7-18(8-5-16)24(29)30)15-17-6-10-22(32-2)23(12-17)33-3/h4-13H,14-15H2,1-3H3,(H,27,34)(H,29,30)

InChI Key

MHMSGKYAWOTXAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.121

Distribution Coefficient, logD

2.149

Water Solubility, LogSw

-5.29

Polar Surface Area

61.029

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K784-4728 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system

References: we are preparing a list of scientific research reports with K784-4728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4728?
Check Price and Availability of K784-4728, 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 K784-4728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4728
  • 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 K784-4728 available by request