C719-0036 Screening compound: 2-(adamantan-1-yl)-5-(benzylamino)-4-chloro-2,3-dihydropyridazin-3-one

C719-0036 Screening compound: 2-(adamantan-1-yl)-5-(benzylamino)-4-chloro-2,3-dihydropyridazin-3-one
C719-0036 Screening compound: 2-(adamantan-1-yl)-5-(benzylamino)-4-chloro-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C719-0036
2-(adamantan-1-yl)-5-(benzylamino)-4-chloro-2,3-dihydropyridazin-3-one

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

C719-0036

Molecular Formula

C21H24ClN3O (C21 H24 ClN3 O)

Compound Name

2-(adamantan-1-yl)-5-(benzylamino)-4-chloro-2,3-dihydropyridazin-3-one

IUPAC name

2-(adamantan-1-yl)-5-(benzylamino)-4-chloro-23-dihydropyridazin-3-one

SMILES

O=C1N(C2(CC(C3)C4)CC4CC3C2)N=CC(NCc2ccccc2)=C1Cl

InChI

InChI=1S/C21H24ClN3O/c22-19-18(23-12-14-4-2-1-3-5-14)13-24-25(20(19)26)21-9-15-6-16(10-21)8-17(7-15)11-21/h1-5,13,15-17,23H,6-12H2

InChI Key

BAUGYTNLWFLJOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.89

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.370

Distribution Coefficient, logD

4.370

Water Solubility, LogSw

-4.57

Polar Surface Area

36.818

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

-7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

C719-0036 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 C719-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C719-0036?
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What is the minimum amount of C719-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C719-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C719-0036
  • 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 C719-0036 available by request