C201-1126 Screening compound: 2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide

C201-1126 Screening compound: 2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
C201-1126 Screening compound: 2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1126
2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide

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

C201-1126

Molecular Formula

C19H23N3O3S2 (C19 H23 N3 O3 S2)

Compound Name

2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide

IUPAC name

2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide

SMILES

Cc1cccc(NC(CSc(cc2)nnc2S(C2CCCCC2)(=O)=O)=O)c1

InChI

InChI=1S/C19H23N3O3S2/c1-14-6-5-7-15(12-14)20-17(23)13-26-18-10-11-19(22-21-18)27(24,25)16-8-3-2-4-9-16/h5-7,10-12,16H,2-4,8-9,13H2,1H3,(H,20,23)

InChI Key

UIFSPVMGHXVEQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.739

Distribution Coefficient, logD

3.739

Water Solubility, LogSw

-3.70

Polar Surface Area

73.688

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C201-1126 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C201-1126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1126?
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What is the minimum amount of C201-1126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1126
  • 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 C201-1126 available by request