K788-0210 Screening compound: 3-[(5-{[butyl(ethyl)amino]methyl}furan-2-yl)methyl]-1-(2,4-dimethoxyphenyl)urea

K788-0210 Screening compound: 3-[(5-{[butyl(ethyl)amino]methyl}furan-2-yl)methyl]-1-(2,4-dimethoxyphenyl)urea
K788-0210 Screening compound: 3-[(5-{[butyl(ethyl)amino]methyl}furan-2-yl)methyl]-1-(2,4-dimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0210
3-[(5-{[butyl(ethyl)amino]methyl}furan-2-yl)methyl]-1-(2,4-dimethoxyphenyl)urea

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

K788-0210

Molecular Formula

C21H31N3O4 (C21 H31 N3 O4)

Compound Name

3-[(5-{[butyl(ethyl)amino]methyl}furan-2-yl)methyl]-1-(2,4-dimethoxyphenyl)urea

IUPAC name

3-[(5-{[butyl(ethyl)amino]methyl}furan-2-yl)methyl]-1-(24-dimethoxyphenyl)urea

SMILES

CCCCN(CC)Cc1ccc(CNC(Nc(ccc(OC)c2)c2OC)=O)o1

InChI

InChI=1S/C21H31N3O4/c1-5-7-12-24(6-2)15-18-9-8-17(28-18)14-22-21(25)23-19-11-10-16(26-3)13-20(19)27-4/h8-11,13H,5-7,12,14-15H2,1-4H3,(H2,22,23,25)

InChI Key

HALNSYITXIPKLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03834083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.939

Distribution Coefficient, logD

1.750

Water Solubility, LogSw

-3.86

Polar Surface Area

59.038

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

9.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

K788-0210 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Human Kinases Annotated Library (2415 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K788-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0210?
Check Price and Availability of K788-0210, 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 K788-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0210
  • 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 K788-0210 available by request