K786-9265 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methylbenzenesulfonamido)-4-(piperidin-1-yl)benzamide

K786-9265 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methylbenzenesulfonamido)-4-(piperidin-1-yl)benzamide
K786-9265 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methylbenzenesulfonamido)-4-(piperidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9265
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methylbenzenesulfonamido)-4-(piperidin-1-yl)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

K786-9265

Molecular Formula

C27H29N3O5S (C27 H29 N3 O5 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methylbenzenesulfonamido)-4-(piperidin-1-yl)benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(4-methylbenzenesulfonamido)-4-(piperidin-1-yl)benzamide

SMILES

Cc(cc1)ccc1S(Nc(cc(cc1)C(NCc(cc2)cc3c2OCO3)=O)c1N1CCCCC1)(=O)=O

InChI

InChI=1S/C27H29N3O5S/c1-19-5-9-22(10-6-19)36(32,33)29-23-16-21(8-11-24(23)30-13-3-2-4-14-30)27(31)28-17-20-7-12-25-26(15-20)35-18-34-25/h5-12,15-16,29H,2-4,13-14,17-18H2,1H3,(H,28,31)

InChI Key

MYZFQHVZXBQKSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.966

Distribution Coefficient, logD

3.139

Water Solubility, LogSw

-4.58

Polar Surface Area

84.871

Acid Dissociation Constant (pKa)

5.58

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

K786-9265 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 K786-9265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9265?
Check Price and Availability of K786-9265, 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 K786-9265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9265
  • 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 K786-9265 available by request