K784-4037 Screening compound: 2-({benzyl[(pyridin-3-yl)methyl]carbamothioyl}amino)-N-butylacetamide

K784-4037 Screening compound: 2-({benzyl[(pyridin-3-yl)methyl]carbamothioyl}amino)-N-butylacetamide
K784-4037 Screening compound: 2-({benzyl[(pyridin-3-yl)methyl]carbamothioyl}amino)-N-butylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4037
2-({benzyl[(pyridin-3-yl)methyl]carbamothioyl}amino)-N-butylacetamide

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

K784-4037

Molecular Formula

C20H26N4OS (C20 H26 N4 OS)

Compound Name

2-({benzyl[(pyridin-3-yl)methyl]carbamothioyl}amino)-N-butylacetamide

IUPAC name

2-({benzyl[(pyridin-3-yl)methyl]carbamothioyl}amino)-N-butylacetamide

SMILES

CCCCNC(CNC(N(Cc1ccccc1)Cc1cnccc1)=S)=O

InChI

InChI=1S/C20H26N4OS/c1-2-3-12-22-19(25)14-23-20(26)24(15-17-8-5-4-6-9-17)16-18-10-7-11-21-13-18/h4-11,13H,2-3,12,14-16H2,1H3,(H,22,25)(H,23,26)

InChI Key

KAOWVZGEJQYQTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.772

Distribution Coefficient, logD

2.772

Water Solubility, LogSw

-2.87

Polar Surface Area

45.852

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

K784-4037 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K784-4037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4037?
Check Price and Availability of K784-4037, 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 K784-4037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4037
  • 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 K784-4037 available by request