G856-8681 Screening compound: 1-{6-[4-(3-methylbenzenesulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane

G856-8681 Screening compound: 1-{6-[4-(3-methylbenzenesulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane
G856-8681 Screening compound: 1-{6-[4-(3-methylbenzenesulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-8681
1-{6-[4-(3-methylbenzenesulfonyl)piperazin-1-yl]pyridazin-3-yl}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

G856-8681

Molecular Formula

C21H29N5O2S (C21 H29 N5 O2 S)

Compound Name

1-{6-[4-(3-methylbenzenesulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane

IUPAC name

1-{6-[4-(3-methylbenzenesulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane

SMILES

Cc1cccc(S(N(CC2)CCN2c(cc2)nnc2N2CCCCCC2)(=O)=O)c1

InChI

InChI=1S/C21H29N5O2S/c1-18-7-6-8-19(17-18)29(27,28)26-15-13-25(14-16-26)21-10-9-20(22-23-21)24-11-4-2-3-5-12-24/h6-10,17H,2-5,11-16H2,1H3

InChI Key

FWPDCNLMGINAAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07193616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.216

Distribution Coefficient, logD

4.203

Water Solubility, LogSw

-4.21

Polar Surface Area

59.663

Acid Dissociation Constant (pKa)

24.54

Base Dissociation Constant (pKb)

7.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

G856-8681 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G856-8681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-8681?
Check Price and Availability of G856-8681, 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 G856-8681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-8681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-8681
  • 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 G856-8681 available by request