K786-8712 Screening compound: N-(2,3-dimethylcyclohexyl)-3-[3-(4-methylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]propanamide

K786-8712 Screening compound: N-(2,3-dimethylcyclohexyl)-3-[3-(4-methylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]propanamide
K786-8712 Screening compound: N-(2,3-dimethylcyclohexyl)-3-[3-(4-methylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-8712
N-(2,3-dimethylcyclohexyl)-3-[3-(4-methylphenyl)-6-oxo-1,6-dihydropyridazin-1-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

K786-8712

Molecular Formula

C22H29N3O2 (C22 H29 N3 O2)

Compound Name

N-(2,3-dimethylcyclohexyl)-3-[3-(4-methylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]propanamide

IUPAC name

N-(23-dimethylcyclohexyl)-3-[3-(4-methylphenyl)-6-oxo-16-dihydropyridazin-1-yl]propanamide

SMILES

CC(CCC1)C(C)C1NC(CCN(C(C=C1)=O)N=C1c1ccc(C)cc1)=O

InChI

InChI=1S/C22H29N3O2/c1-15-7-9-18(10-8-15)20-11-12-22(27)25(24-20)14-13-21(26)23-19-6-4-5-16(2)17(19)3/h7-12,16-17,19H,4-6,13-14H2,1-3H3,(H,23,26)

InChI Key

VBHYQGIXCJQBGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03833834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.594

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-3.76

Polar Surface Area

53.113

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

K786-8712 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K786-8712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-8712?
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What is the minimum amount of K786-8712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-8712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-8712
  • 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 K786-8712 available by request