K784-4716 Screening compound: 4-({[(3,4-dimethoxyphenyl)methyl][(2-ethyl-6-methylphenyl)carbamothioyl]amino}methyl)benzoic acid

K784-4716 Screening compound: 4-({[(3,4-dimethoxyphenyl)methyl][(2-ethyl-6-methylphenyl)carbamothioyl]amino}methyl)benzoic acid
K784-4716 Screening compound: 4-({[(3,4-dimethoxyphenyl)methyl][(2-ethyl-6-methylphenyl)carbamothioyl]amino}methyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4716
4-({[(3,4-dimethoxyphenyl)methyl][(2-ethyl-6-methylphenyl)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

K784-4716

Molecular Formula

C27H30N2O4S (C27 H30 N2 O4 S)

Compound Name

4-({[(3,4-dimethoxyphenyl)methyl][(2-ethyl-6-methylphenyl)carbamothioyl]amino}methyl)benzoic acid

IUPAC name

4-({[(34-dimethoxyphenyl)methyl][(2-ethyl-6-methylphenyl)carbamothioyl]amino}methyl)benzoic acid

SMILES

CCc(cccc1C)c1NC(N(Cc(cc1)ccc1C(O)=O)Cc(cc1)cc(OC)c1OC)=S

InChI

InChI=1S/C27H30N2O4S/c1-5-21-8-6-7-18(2)25(21)28-27(34)29(16-19-9-12-22(13-10-19)26(30)31)17-20-11-14-23(32-3)24(15-20)33-4/h6-15H,5,16-17H2,1-4H3,(H,28,34)(H,30,31)

InChI Key

JNOFEKILAIHSMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.61

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

5.355

Distribution Coefficient, logD

2.383

Water Solubility, LogSw

-5.23

Polar Surface Area

52.701

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

K784-4716 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 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:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system

References: we are preparing a list of scientific research reports with K784-4716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4716?
Check Price and Availability of K784-4716, 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 K784-4716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4716
  • 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 K784-4716 available by request