C201-0733 Screening compound: benzyl 1-[6-(4-methylbenzenesulfonyl)pyridazin-3-yl]piperidine-4-carboxylate

C201-0733 Screening compound: benzyl 1-[6-(4-methylbenzenesulfonyl)pyridazin-3-yl]piperidine-4-carboxylate
C201-0733 Screening compound: benzyl 1-[6-(4-methylbenzenesulfonyl)pyridazin-3-yl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0733
benzyl 1-[6-(4-methylbenzenesulfonyl)pyridazin-3-yl]piperidine-4-carboxylate

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

C201-0733

Molecular Formula

C24H25N3O4S (C24 H25 N3 O4 S)

Compound Name

benzyl 1-[6-(4-methylbenzenesulfonyl)pyridazin-3-yl]piperidine-4-carboxylate

IUPAC name

benzyl 1-[6-(4-methylbenzenesulfonyl)pyridazin-3-yl]piperidine-4-carboxylate

SMILES

Cc(cc1)ccc1S(c(cc1)nnc1N(CC1)CCC1C(OCc1ccccc1)=O)(=O)=O

InChI

InChI=1S/C24H25N3O4S/c1-18-7-9-21(10-8-18)32(29,30)23-12-11-22(25-26-23)27-15-13-20(14-16-27)24(28)31-17-19-5-3-2-4-6-19/h2-12,20H,13-17H2,1H3

InChI Key

NSORRWGZKHXPIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09981697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.482

Distribution Coefficient, logD

4.482

Water Solubility, LogSw

-4.41

Polar Surface Area

75.031

Acid Dissociation Constant (pKa)

22.26

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C201-0733 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C201-0733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0733?
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What is the minimum amount of C201-0733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0733
  • 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 C201-0733 available by request