C066-5730 Screening compound: 6-[4-(3-chloro-4-methylbenzenesulfonyl)-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)-2,3-dihydropyridazin-3-one

C066-5730 Screening compound: 6-[4-(3-chloro-4-methylbenzenesulfonyl)-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)-2,3-dihydropyridazin-3-one
C066-5730 Screening compound: 6-[4-(3-chloro-4-methylbenzenesulfonyl)-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5730
6-[4-(3-chloro-4-methylbenzenesulfonyl)-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)-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

C066-5730

Molecular Formula

C24H27ClN4O3S (C24 H27 ClN4 O3 S)

Compound Name

6-[4-(3-chloro-4-methylbenzenesulfonyl)-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)-2,3-dihydropyridazin-3-one

IUPAC name

6-[4-(3-chloro-4-methylbenzenesulfonyl)-14-diazepan-1-yl]-2-(34-dimethylphenyl)-23-dihydropyridazin-3-one

SMILES

Cc(cc1)c(C)cc1N(C(C=C1)=O)N=C1N(CCC1)CCN1S(c1cc(Cl)c(C)cc1)(=O)=O

InChI

InChI=1S/C24H27ClN4O3S/c1-17-5-7-20(15-19(17)3)29-24(30)10-9-23(26-29)27-11-4-12-28(14-13-27)33(31,32)21-8-6-18(2)22(25)16-21/h5-10,15-16H,4,11-14H2,1-3H3

InChI Key

ALCLVPQFEZVIKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.065

Distribution Coefficient, logD

5.065

Water Solubility, LogSw

-5.33

Polar Surface Area

62.555

Acid Dissociation Constant (pKa)

27.67

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C066-5730 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C066-5730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5730?
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What is the minimum amount of C066-5730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5730
  • 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 C066-5730 available by request