K788-0522 Screening compound: N-ISOPENTYL-3-[3-(4-METHYLPHENYL)-6-OXO-5,6-DIHYDRO-1(4H)-PYRIDAZINYL]PROPANAMIDE

K788-0522 Screening compound: N-ISOPENTYL-3-[3-(4-METHYLPHENYL)-6-OXO-5,6-DIHYDRO-1(4H)-PYRIDAZINYL]PROPANAMIDE
K788-0522 Screening compound: N-ISOPENTYL-3-[3-(4-METHYLPHENYL)-6-OXO-5,6-DIHYDRO-1(4H)-PYRIDAZINYL]PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0522
N-ISOPENTYL-3-[3-(4-METHYLPHENYL)-6-OXO-5,6-DIHYDRO-1(4H)-PYRIDAZINYL]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

K788-0522

Molecular Formula

C19H27N3O2 (C19 H27 N3 O2)

Compound Name

N-ISOPENTYL-3-[3-(4-METHYLPHENYL)-6-OXO-5,6-DIHYDRO-1(4H)-PYRIDAZINYL]PROPANAMIDE

IUPAC name

n/a

SMILES

CC(C)CCNC(CCN(C(CC1)=O)N=C1c1ccc(C)cc1)=O

InChI

InChI=1S/C19H27N3O2/c1-14(2)10-12-20-18(23)11-13-22-19(24)9-8-17(21-22)16-6-4-15(3)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,20,23)

InChI Key

ASMLHFORQFUCJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.625

Distribution Coefficient, logD

2.557

Water Solubility, LogSw

-2.91

Polar Surface Area

53.110

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

K788-0522 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with K788-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0522?
Check Price and Availability of K788-0522, 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 K788-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0522
  • 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 K788-0522 available by request