C719-0140 Screening compound: 2-(adamantan-1-yl)-4-chloro-5-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,3-dihydropyridazin-3-one

C719-0140 Screening compound: 2-(adamantan-1-yl)-4-chloro-5-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,3-dihydropyridazin-3-one
C719-0140 Screening compound: 2-(adamantan-1-yl)-4-chloro-5-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C719-0140
2-(adamantan-1-yl)-4-chloro-5-[4-(2,4-dimethylphenyl)piperazin-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

C719-0140

Molecular Formula

C26H33ClN4O (C26 H33 ClN4 O)

Compound Name

2-(adamantan-1-yl)-4-chloro-5-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,3-dihydropyridazin-3-one

IUPAC name

2-(adamantan-1-yl)-4-chloro-5-[4-(24-dimethylphenyl)piperazin-1-yl]-23-dihydropyridazin-3-one

SMILES

Cc(cc1)cc(C)c1N(CC1)CCN1C(C=NN(C1(CC(C2)C3)CC3CC2C1)C1=O)=C1Cl

InChI

InChI=1S/C26H33ClN4O/c1-17-3-4-22(18(2)9-17)29-5-7-30(8-6-29)23-16-28-31(25(32)24(23)27)26-13-19-10-20(14-26)12-21(11-19)15-26/h3-4,9,16,19-21H,5-8,10-15H2,1-2H3

InChI Key

FXGRORCVTIADOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.03

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.354

Distribution Coefficient, logD

6.354

Water Solubility, LogSw

-6.19

Polar Surface Area

33.639

Acid Dissociation Constant (pKa)

25.81

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

C719-0140 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C719-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C719-0140?
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What is the minimum amount of C719-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C719-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C719-0140
  • 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 C719-0140 available by request