K781-2055 Screening compound: 4-chloro-N-(3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxopropyl)benzene-1-sulfonamide

K781-2055 Screening compound: 4-chloro-N-(3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxopropyl)benzene-1-sulfonamide
K781-2055 Screening compound: 4-chloro-N-(3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxopropyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-2055
4-chloro-N-(3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxopropyl)benzene-1-sulfonamide

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

K781-2055

Molecular Formula

C16H21ClN2O5S (C16 H21 ClN2 O5 S)

Compound Name

4-chloro-N-(3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxopropyl)benzene-1-sulfonamide

IUPAC name

4-chloro-N-(3-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxopropyl)benzene-1-sulfonamide

SMILES

O=C(CCNS(c(cc1)ccc1Cl)(=O)=O)N(CC1)CCC11OCCO1

InChI

InChI=1S/C16H21ClN2O5S/c17-13-1-3-14(4-2-13)25(21,22)18-8-5-15(20)19-9-6-16(7-10-19)23-11-12-24-16/h1-4,18H,5-12H2

InChI Key

LSVNYKGQVBGJAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.355

Distribution Coefficient, logD

1.355

Water Solubility, LogSw

-2.87

Polar Surface Area

72.668

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

K781-2055 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K781-2055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-2055?
Check Price and Availability of K781-2055, 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 K781-2055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-2055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-2055
  • 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 K781-2055 available by request