K784-4940 Screening compound: 2-{[(4-ethoxyphenyl)methyl][(3-methylphenyl)carbamothioyl]amino}-4-methylpentanoic acid

K784-4940 Screening compound: 2-{[(4-ethoxyphenyl)methyl][(3-methylphenyl)carbamothioyl]amino}-4-methylpentanoic acid
K784-4940 Screening compound: 2-{[(4-ethoxyphenyl)methyl][(3-methylphenyl)carbamothioyl]amino}-4-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4940
2-{[(4-ethoxyphenyl)methyl][(3-methylphenyl)carbamothioyl]amino}-4-methylpentanoic 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

K784-4940

Molecular Formula

C23H30N2O3S (C23 H30 N2 O3 S)

Compound Name

2-{[(4-ethoxyphenyl)methyl][(3-methylphenyl)carbamothioyl]amino}-4-methylpentanoic acid

IUPAC name

2-{[(4-ethoxyphenyl)methyl][(3-methylphenyl)carbamothioyl]amino}-4-methylpentanoic acid

SMILES

CCOc1ccc(CN(C(CC(C)C)C(O)=O)C(Nc2cc(C)ccc2)=S)cc1

InChI

InChI=1S/C23H30N2O3S/c1-5-28-20-11-9-18(10-12-20)15-25(21(22(26)27)13-16(2)3)23(29)24-19-8-6-7-17(4)14-19/h6-12,14,16,21H,5,13,15H2,1-4H3,(H,24,29)(H,26,27)/t21-/m0/s1

InChI Key

HUPHSZJYQCJLLG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03451274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.023

Distribution Coefficient, logD

2.316

Water Solubility, LogSw

-4.46

Polar Surface Area

45.180

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

K784-4940 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K784-4940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4940?
Check Price and Availability of K784-4940, 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 K784-4940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4940
  • 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 K784-4940 available by request