C719-0072 Screening compound: 2-(adamantan-1-yl)-4-chloro-5-(4-methylpiperazin-1-yl)-2,3-dihydropyridazin-3-one

C719-0072 Screening compound: 2-(adamantan-1-yl)-4-chloro-5-(4-methylpiperazin-1-yl)-2,3-dihydropyridazin-3-one
C719-0072 Screening compound: 2-(adamantan-1-yl)-4-chloro-5-(4-methylpiperazin-1-yl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C719-0072
2-(adamantan-1-yl)-4-chloro-5-(4-methylpiperazin-1-yl)-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

C719-0072

Molecular Formula

C19H27ClN4O (C19 H27 ClN4 O)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)CCN1C(C=NN(C1(CC(C2)C3)CC3CC2C1)C1=O)=C1Cl

InChI

InChI=1S/C19H27ClN4O/c1-22-2-4-23(5-3-22)16-12-21-24(18(25)17(16)20)19-9-13-6-14(10-19)8-15(7-13)11-19/h12-15H,2-11H2,1H3

InChI Key

XNXHPJOYUZOVSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06606490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.199

Distribution Coefficient, logD

3.193

Water Solubility, LogSw

-3.41

Polar Surface Area

34.156

Acid Dissociation Constant (pKa)

25.81

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

78.90

C719-0072 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 C719-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C719-0072?
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What is the minimum amount of C719-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C719-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C719-0072
  • 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 C719-0072 available by request