C201-1612 Screening compound: 1-{6-[(4-bromophenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxylic acid

C201-1612 Screening compound: 1-{6-[(4-bromophenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxylic acid
C201-1612 Screening compound: 1-{6-[(4-bromophenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1612
1-{6-[(4-bromophenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxylic acid

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

C201-1612

Molecular Formula

C16H16BrN3O2S (C16 H16 BrN3 O2 S)

Compound Name

1-{6-[(4-bromophenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxylic acid

IUPAC name

1-{6-[(4-bromophenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxylic acid

SMILES

OC(C(CC1)CCN1c(cc1)nnc1Sc(cc1)ccc1Br)=O

InChI

InChI=1S/C16H16BrN3O2S/c17-12-1-3-13(4-2-12)23-15-6-5-14(18-19-15)20-9-7-11(8-10-20)16(21)22/h1-6,11H,7-10H2,(H,21,22)

InChI Key

LXSLRNYRUMRMKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14703345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.513

Distribution Coefficient, logD

0.960

Water Solubility, LogSw

-3.43

Polar Surface Area

52.395

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C201-1612 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C201-1612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1612?
Check Price and Availability of C201-1612, 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 C201-1612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1612
  • 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 C201-1612 available by request