K784-4580 Screening compound: 2-({[4-(ethoxycarbonyl)phenyl]methyl}[(4-phenoxyphenyl)carbamothioyl]amino)-4-methylpentanoic acid

K784-4580 Screening compound: 2-({[4-(ethoxycarbonyl)phenyl]methyl}[(4-phenoxyphenyl)carbamothioyl]amino)-4-methylpentanoic acid
K784-4580 Screening compound: 2-({[4-(ethoxycarbonyl)phenyl]methyl}[(4-phenoxyphenyl)carbamothioyl]amino)-4-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4580
2-({[4-(ethoxycarbonyl)phenyl]methyl}[(4-phenoxyphenyl)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

K784-4580

Molecular Formula

C29H32N2O5S (C29 H32 N2 O5 S)

Compound Name

2-({[4-(ethoxycarbonyl)phenyl]methyl}[(4-phenoxyphenyl)carbamothioyl]amino)-4-methylpentanoic acid

IUPAC name

2-({[4-(ethoxycarbonyl)phenyl]methyl}[(4-phenoxyphenyl)carbamothioyl]amino)-4-methylpentanoic acid

SMILES

CCOC(c1ccc(CN(C(CC(C)C)C(O)=O)C(Nc(cc2)ccc2Oc2ccccc2)=S)cc1)=O

InChI

InChI=1S/C29H32N2O5S/c1-4-35-28(34)22-12-10-21(11-13-22)19-31(26(27(32)33)18-20(2)3)29(37)30-23-14-16-25(17-15-23)36-24-8-6-5-7-9-24/h5-17,20,26H,4,18-19H2,1-3H3,(H,30,37)(H,32,33)/t26-/m0/s1

InChI Key

UMSUWOJJUDCBPS-SANMLTNESA-N

MDL Number (MFCD)

MFCD03451108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.586

Distribution Coefficient, logD

3.878

Water Solubility, LogSw

-5.69

Polar Surface Area

65.558

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

K784-4580 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

MCL1 Targeted Library (12200 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
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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 K784-4580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4580?
Check Price and Availability of K784-4580, 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 K784-4580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4580
  • 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 K784-4580 available by request