8006-8851 Screening compound: 4-{2-methyl-5-[4-methyl-3-(morpholine-4-sulfonyl)benzenesulfonyl]benzenesulfonyl}morpholine

8006-8851 Screening compound: 4-{2-methyl-5-[4-methyl-3-(morpholine-4-sulfonyl)benzenesulfonyl]benzenesulfonyl}morpholine
8006-8851 Screening compound: 4-{2-methyl-5-[4-methyl-3-(morpholine-4-sulfonyl)benzenesulfonyl]benzenesulfonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8851
4-{2-methyl-5-[4-methyl-3-(morpholine-4-sulfonyl)benzenesulfonyl]benzenesulfonyl}morpholine

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

8006-8851

Molecular Formula

C22H28N2O8S3 (C22 H28 N2 O8 S3)

Compound Name

4-{2-methyl-5-[4-methyl-3-(morpholine-4-sulfonyl)benzenesulfonyl]benzenesulfonyl}morpholine

IUPAC name

4-{2-methyl-5-[4-methyl-3-(morpholine-4-sulfonyl)benzenesulfonyl]benzenesulfonyl}morpholine

SMILES

Cc(ccc(S(c1cc(S(N2CCOCC2)(=O)=O)c(C)cc1)(=O)=O)c1)c1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C22H28N2O8S3/c1-17-3-5-19(15-21(17)34(27,28)23-7-11-31-12-8-23)33(25,26)20-6-4-18(2)22(16-20)35(29,30)24-9-13-32-14-10-24/h3-6,15-16H,7-14H2,1-2H3

InChI Key

AWRSLZPIQQLXMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00760933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.67

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.565

Distribution Coefficient, logD

2.565

Water Solubility, LogSw

-2.58

Polar Surface Area

108.978

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

-7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

8006-8851 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 8006-8851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8851?
Check Price and Availability of 8006-8851, 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 8006-8851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8851
  • 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 8006-8851 available by request