8012-7970 Screening compound: 1-(adamantan-1-yl)-4-(2,5-dimethoxybenzenesulfonyl)piperazine

8012-7970 Screening compound: 1-(adamantan-1-yl)-4-(2,5-dimethoxybenzenesulfonyl)piperazine
8012-7970 Screening compound: 1-(adamantan-1-yl)-4-(2,5-dimethoxybenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7970
1-(adamantan-1-yl)-4-(2,5-dimethoxybenzenesulfonyl)piperazine

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

8012-7970

Molecular Formula

C22H32N2O4S (C22 H32 N2 O4 S)

Compound Name

1-(adamantan-1-yl)-4-(2,5-dimethoxybenzenesulfonyl)piperazine

IUPAC name

1-(adamantan-1-yl)-4-(25-dimethoxybenzenesulfonyl)piperazine

SMILES

COc(cc1)cc(S(N(CC2)CCN2C2(CC(C3)C4)CC4CC3C2)(=O)=O)c1OC

InChI

InChI=1S/C22H32N2O4S/c1-27-19-3-4-20(28-2)21(12-19)29(25,26)24-7-5-23(6-8-24)22-13-16-9-17(14-22)11-18(10-16)15-22/h3-4,12,16-18H,5-11,13-15H2,1-2H3

InChI Key

RRUHRQCUOJRTHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.086

Distribution Coefficient, logD

4.068

Water Solubility, LogSw

-4.34

Polar Surface Area

50.076

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.70

8012-7970 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8012-7970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7970?
Check Price and Availability of 8012-7970, 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 8012-7970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7970
  • 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 8012-7970 available by request