K784-4720 Screening compound: 4-({[(3,4-dimethoxyphenyl)methyl][(4-ethylphenyl)carbamothioyl]amino}methyl)benzoic acid

K784-4720 Screening compound: 4-({[(3,4-dimethoxyphenyl)methyl][(4-ethylphenyl)carbamothioyl]amino}methyl)benzoic acid
K784-4720 Screening compound: 4-({[(3,4-dimethoxyphenyl)methyl][(4-ethylphenyl)carbamothioyl]amino}methyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4720
4-({[(3,4-dimethoxyphenyl)methyl][(4-ethylphenyl)carbamothioyl]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

K784-4720

Molecular Formula

C26H28N2O4S (C26 H28 N2 O4 S)

Compound Name

4-({[(3,4-dimethoxyphenyl)methyl][(4-ethylphenyl)carbamothioyl]amino}methyl)benzoic acid

IUPAC name

4-({[(34-dimethoxyphenyl)methyl][(4-ethylphenyl)carbamothioyl]amino}methyl)benzoic acid

SMILES

CCc(cc1)ccc1NC(N(Cc(cc1)ccc1C(O)=O)Cc(cc1)cc(OC)c1OC)=S

InChI

InChI=1S/C26H28N2O4S/c1-4-18-7-12-22(13-8-18)27-26(33)28(16-19-5-10-21(11-6-19)25(29)30)17-20-9-14-23(31-2)24(15-20)32-3/h5-15H,4,16-17H2,1-3H3,(H,27,33)(H,29,30)

InChI Key

IVJBANWJZSSGGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.455

Distribution Coefficient, logD

2.484

Water Solubility, LogSw

-5.29

Polar Surface Area

54.097

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K784-4720 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Human Kinases Annotated Library (2415 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 K784-4720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4720?
Check Price and Availability of K784-4720, 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 K784-4720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4720
  • 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 K784-4720 available by request