K834-3523 Screening compound: 8-(2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)benzoyl)-1,4-dioxa-8-azaspiro[4.5]decane

K834-3523 Screening compound: 8-(2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)benzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
K834-3523 Screening compound: 8-(2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)benzoyl)-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound K834-3523
8-(2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)benzoyl)-1,4-dioxa-8-azaspiro[4.5]decane

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

K834-3523

Molecular Formula

C27H34N2O8S2 (C27 H34 N2 O8 S2)

Compound Name

8-(2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)benzoyl)-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-(2-{[(23-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)benzoyl)-14-dioxa-8-azaspiro[4.5]decane

SMILES

COc1cccc(CSc(ccc(S(N2CCOCC2)(=O)=O)c2)c2C(N(CC2)CCC22OCCO2)=O)c1OC

InChI

InChI=1S/C27H34N2O8S2/c1-33-23-5-3-4-20(25(23)34-2)19-38-24-7-6-21(39(31,32)29-12-14-35-15-13-29)18-22(24)26(30)28-10-8-27(9-11-28)36-16-17-37-27/h3-7,18H,8-17,19H2,1-2H3

InChI Key

HNMDELVIWSVSBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03065963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.71

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.660

Distribution Coefficient, logD

2.660

Water Solubility, LogSw

-3.16

Polar Surface Area

86.019

Acid Dissociation Constant (pKa)

27.30

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.90

K834-3523 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 K834-3523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K834-3523?
Check Price and Availability of K834-3523, 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 K834-3523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K834-3523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K834-3523
  • 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 K834-3523 available by request