K788-5016 Screening compound: 1-(4-CHLOROPHENYL)-3-[1-(7-METHOXY-1-BENZOFURAN-2-YL)ETHYL]-3-[3-(MORPHOLIN-4-YL)PROPYL]UREA

K788-5016 Screening compound: 1-(4-CHLOROPHENYL)-3-[1-(7-METHOXY-1-BENZOFURAN-2-YL)ETHYL]-3-[3-(MORPHOLIN-4-YL)PROPYL]UREA
K788-5016 Screening compound: 1-(4-CHLOROPHENYL)-3-[1-(7-METHOXY-1-BENZOFURAN-2-YL)ETHYL]-3-[3-(MORPHOLIN-4-YL)PROPYL]UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5016
1-(4-CHLOROPHENYL)-3-[1-(7-METHOXY-1-BENZOFURAN-2-YL)ETHYL]-3-[3-(MORPHOLIN-4-YL)PROPYL]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

K788-5016

Molecular Formula

C25H30ClN3O4 (C25 H30 ClN3 O4)

Compound Name

1-(4-CHLOROPHENYL)-3-[1-(7-METHOXY-1-BENZOFURAN-2-YL)ETHYL]-3-[3-(MORPHOLIN-4-YL)PROPYL]UREA

IUPAC name

1-(4-chlorophenyl)-3-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-[3-(morpholin-4-yl)propyl]urea

SMILES

CC(c1cc(cccc2OC)c2o1)N(CCCN1CCOCC1)C(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H30ClN3O4/c1-18(23-17-19-5-3-6-22(31-2)24(19)33-23)29(12-4-11-28-13-15-32-16-14-28)25(30)27-21-9-7-20(26)8-10-21/h3,5-10,17-18H,4,11-16H2,1-2H3,(H,27,30)/t18-/m0/s1

InChI Key

FJMOGFANZMUVGS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15105394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.392

Distribution Coefficient, logD

4.218

Water Solubility, LogSw

-4.42

Polar Surface Area

52.388

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

K788-5016 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K788-5016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5016?
Check Price and Availability of K788-5016, 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 K788-5016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5016
  • 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 K788-5016 available by request