K788-6640 Screening compound: 3-[3-(4-ethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-yl]-N-(4-phenylbutan-2-yl)propanamide

K788-6640 Screening compound: 3-[3-(4-ethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-yl]-N-(4-phenylbutan-2-yl)propanamide
K788-6640 Screening compound: 3-[3-(4-ethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-yl]-N-(4-phenylbutan-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6640
3-[3-(4-ethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-yl]-N-(4-phenylbutan-2-yl)propanamide

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

K788-6640

Molecular Formula

C25H31N3O2 (C25 H31 N3 O2)

Compound Name

3-[3-(4-ethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-yl]-N-(4-phenylbutan-2-yl)propanamide

IUPAC name

3-[3-(4-ethylphenyl)-6-oxo-1456-tetrahydropyridazin-1-yl]-N-(4-phenylbutan-2-yl)propanamide

SMILES

CCc(cc1)ccc1C(CC1)=NN(CCC(NC(C)CCc2ccccc2)=O)C1=O

InChI

InChI=1S/C25H31N3O2/c1-3-20-11-13-22(14-12-20)23-15-16-25(30)28(27-23)18-17-24(29)26-19(2)9-10-21-7-5-4-6-8-21/h4-8,11-14,19H,3,9-10,15-18H2,1-2H3,(H,26,29)/t19-/m0/s1

InChI Key

OKPBQVAVGRBJIA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15106624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.339

Distribution Coefficient, logD

4.270

Water Solubility, LogSw

-4.14

Polar Surface Area

52.439

Acid Dissociation Constant (pKa)

14.89

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

K788-6640 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K788-6640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6640?
Check Price and Availability of K788-6640, 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 K788-6640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6640
  • 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 K788-6640 available by request