K784-4005 Screening compound: N-(3-ethoxypropyl)-2-({[(furan-2-yl)methyl][(4-methylphenyl)methyl]carbamothioyl}amino)acetamide

K784-4005 Screening compound: N-(3-ethoxypropyl)-2-({[(furan-2-yl)methyl][(4-methylphenyl)methyl]carbamothioyl}amino)acetamide
K784-4005 Screening compound: N-(3-ethoxypropyl)-2-({[(furan-2-yl)methyl][(4-methylphenyl)methyl]carbamothioyl}amino)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4005
N-(3-ethoxypropyl)-2-({[(furan-2-yl)methyl][(4-methylphenyl)methyl]carbamothioyl}amino)acetamide

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

K784-4005

Molecular Formula

C21H29N3O3S (C21 H29 N3 O3 S)

Compound Name

N-(3-ethoxypropyl)-2-({[(furan-2-yl)methyl][(4-methylphenyl)methyl]carbamothioyl}amino)acetamide

IUPAC name

N-(3-ethoxypropyl)-2-({[(furan-2-yl)methyl][(4-methylphenyl)methyl]carbamothioyl}amino)acetamide

SMILES

CCOCCCNC(CNC(N(Cc1ccco1)Cc1ccc(C)cc1)=S)=O

InChI

InChI=1S/C21H29N3O3S/c1-3-26-12-5-11-22-20(25)14-23-21(28)24(16-19-6-4-13-27-19)15-18-9-7-17(2)8-10-18/h4,6-10,13H,3,5,11-12,14-16H2,1-2H3,(H,22,25)(H,23,28)

InChI Key

WKNVYGCCFMUMTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.223

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.24

Polar Surface Area

52.061

Acid Dissociation Constant (pKa)

15.90

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

K784-4005 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K784-4005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4005?
Check Price and Availability of K784-4005, 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 K784-4005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4005
  • 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 K784-4005 available by request