L285-2038 Screening compound: 1-{2-methyl-5-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonyl}azepane

L285-2038 Screening compound: 1-{2-methyl-5-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonyl}azepane
L285-2038 Screening compound: 1-{2-methyl-5-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound L285-2038
1-{2-methyl-5-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonyl}azepane

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

L285-2038

Molecular Formula

C27H33N5O2S (C27 H33 N5 O2 S)

Compound Name

1-{2-methyl-5-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonyl}azepane

IUPAC name

1-{2-methyl-5-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonyl}azepane

SMILES

Cc(ccc(-c(cc1)nnc1N(CC1)CCN1c1ccccc1)c1)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C27H33N5O2S/c1-22-11-12-23(21-26(22)35(33,34)32-15-7-2-3-8-16-32)25-13-14-27(29-28-25)31-19-17-30(18-20-31)24-9-5-4-6-10-24/h4-6,9-14,21H,2-3,7-8,15-20H2,1H3

InChI Key

SJTCYYBPYLVRQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27240276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.241

Distribution Coefficient, logD

5.240

Water Solubility, LogSw

-5.04

Polar Surface Area

59.928

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

L285-2038 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L285-2038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L285-2038?
Check Price and Availability of L285-2038, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L285-2038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L285-2038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L285-2038
  • 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 L285-2038 available by request