8012-9391 Screening compound: 4-(4-{[4-(adamantan-1-yl)piperazin-1-yl]sulfonyl}benzenesulfonyl)morpholine

8012-9391 Screening compound: 4-(4-{[4-(adamantan-1-yl)piperazin-1-yl]sulfonyl}benzenesulfonyl)morpholine
8012-9391 Screening compound: 4-(4-{[4-(adamantan-1-yl)piperazin-1-yl]sulfonyl}benzenesulfonyl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9391
4-(4-{[4-(adamantan-1-yl)piperazin-1-yl]sulfonyl}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

8012-9391

Molecular Formula

C24H35N3O5S2 (C24 H35 N3 O5 S2)

Compound Name

4-(4-{[4-(adamantan-1-yl)piperazin-1-yl]sulfonyl}benzenesulfonyl)morpholine

IUPAC name

4-(4-{[4-(adamantan-1-yl)piperazin-1-yl]sulfonyl}benzenesulfonyl)morpholine

SMILES

O=S(c(cc1)ccc1S(N1CCOCC1)(=O)=O)(N(CC1)CCN1C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C24H35N3O5S2/c28-33(29,22-1-3-23(4-2-22)34(30,31)27-9-11-32-12-10-27)26-7-5-25(6-8-26)24-16-19-13-20(17-24)15-21(14-19)18-24/h1-4,19-21H,5-18H2

InChI Key

ALLOQZAWGHDZDR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.69

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

3.355

Water Solubility, LogSw

-3.56

Polar Surface Area

74.521

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

8012-9391 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8012-9391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9391?
Check Price and Availability of 8012-9391, 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 8012-9391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9391
  • 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 8012-9391 available by request