C719-0058 Screening compound: 2-(adamantan-1-yl)-4-chloro-5-{[2-(morpholin-4-yl)ethyl]amino}-2,3-dihydropyridazin-3-one

C719-0058 Screening compound: 2-(adamantan-1-yl)-4-chloro-5-{[2-(morpholin-4-yl)ethyl]amino}-2,3-dihydropyridazin-3-one
C719-0058 Screening compound: 2-(adamantan-1-yl)-4-chloro-5-{[2-(morpholin-4-yl)ethyl]amino}-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C719-0058
2-(adamantan-1-yl)-4-chloro-5-{[2-(morpholin-4-yl)ethyl]amino}-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

C719-0058

Molecular Formula

C20H29ClN4O2 (C20 H29 ClN4 O2)

Compound Name

2-(adamantan-1-yl)-4-chloro-5-{[2-(morpholin-4-yl)ethyl]amino}-2,3-dihydropyridazin-3-one

IUPAC name

2-(adamantan-1-yl)-4-chloro-5-{[2-(morpholin-4-yl)ethyl]amino}-23-dihydropyridazin-3-one

SMILES

O=C1N(C2(CC(C3)C4)CC4CC3C2)N=CC(NCCN2CCOCC2)=C1Cl

InChI

InChI=1S/C20H29ClN4O2/c21-18-17(22-1-2-24-3-5-27-6-4-24)13-23-25(19(18)26)20-10-14-7-15(11-20)9-16(8-14)12-20/h13-16,22H,1-12H2

InChI Key

ZBJWTNJXFSTSAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06610927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.642

Distribution Coefficient, logD

2.636

Water Solubility, LogSw

-3.46

Polar Surface Area

48.550

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.00

C719-0058 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C719-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C719-0058?
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What is the minimum amount of C719-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C719-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C719-0058
  • 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 C719-0058 available by request