K786-9412 Screening compound: 3-acetamido-4-(4-methylbenzenesulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

K786-9412 Screening compound: 3-acetamido-4-(4-methylbenzenesulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
K786-9412 Screening compound: 3-acetamido-4-(4-methylbenzenesulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9412
3-acetamido-4-(4-methylbenzenesulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

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

K786-9412

Molecular Formula

C28H32N4O4S (C28 H32 N4 O4 S)

Compound Name

3-acetamido-4-(4-methylbenzenesulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

IUPAC name

3-acetamido-4-(4-methylbenzenesulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

SMILES

CC(Nc(cc(cc1)C(NCCN(CC2)CCN2c2ccccc2)=O)c1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C28H32N4O4S/c1-21-8-11-25(12-9-21)37(35,36)27-13-10-23(20-26(27)30-22(2)33)28(34)29-14-15-31-16-18-32(19-17-31)24-6-4-3-5-7-24/h3-13,20H,14-19H2,1-2H3,(H,29,34)(H,30,33)

InChI Key

OEBUXRDOWLCLGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.950

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.54

Polar Surface Area

83.801

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K786-9412 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with K786-9412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9412?
Check Price and Availability of K786-9412, 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 K786-9412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9412
  • 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 K786-9412 available by request