K906-0756 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxamide

K906-0756 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxamide
K906-0756 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-0756
1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxamide

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

K906-0756

Molecular Formula

C24H30N4O6S (C24 H30 N4 O6 S)

Compound Name

1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxamide

IUPAC name

1-(213-benzoxadiazole-4-sulfonyl)-N-[2-(34-diethoxyphenyl)ethyl]piperidine-4-carboxamide

SMILES

CCOc(ccc(CCNC(C(CC1)CCN1S(c1cccc2nonc12)(=O)=O)=O)c1)c1OCC

InChI

InChI=1S/C24H30N4O6S/c1-3-32-20-9-8-17(16-21(20)33-4-2)10-13-25-24(29)18-11-14-28(15-12-18)35(30,31)22-7-5-6-19-23(22)27-34-26-19/h5-9,16,18H,3-4,10-15H2,1-2H3,(H,25,29)

InChI Key

RNHXCOXRHOXXCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.560

Distribution Coefficient, logD

2.560

Water Solubility, LogSw

-2.97

Polar Surface Area

106.715

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

K906-0756 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K906-0756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-0756?
Check Price and Availability of K906-0756, 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 K906-0756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-0756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-0756
  • 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 K906-0756 available by request