K788-0212 Screening compound: 3-[(5-{[butyl(ethyl)amino]methyl}furan-2-yl)methyl]-1-(4-chlorophenyl)urea

K788-0212 Screening compound: 3-[(5-{[butyl(ethyl)amino]methyl}furan-2-yl)methyl]-1-(4-chlorophenyl)urea
K788-0212 Screening compound: 3-[(5-{[butyl(ethyl)amino]methyl}furan-2-yl)methyl]-1-(4-chlorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0212
3-[(5-{[butyl(ethyl)amino]methyl}furan-2-yl)methyl]-1-(4-chlorophenyl)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

K788-0212

Molecular Formula

C19H26ClN3O2 (C19 H26 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(CC)Cc1ccc(CNC(Nc(cc2)ccc2Cl)=O)o1

InChI

InChI=1S/C19H26ClN3O2/c1-3-5-12-23(4-2)14-18-11-10-17(25-18)13-21-19(24)22-16-8-6-15(20)7-9-16/h6-11H,3-5,12-14H2,1-2H3,(H2,21,22,24)

InChI Key

CAMZJWMMLZDLSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.788

Distribution Coefficient, logD

2.599

Water Solubility, LogSw

-4.69

Polar Surface Area

44.562

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

9.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

K788-0212 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K788-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0212?
Check Price and Availability of K788-0212, 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 K788-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0212
  • 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 K788-0212 available by request