D122-0108 Screening compound: 2-(4-{4-[(2,6-dimethylpiperidin-1-yl)sulfonyl]benzenesulfonyl}piperazin-1-yl)pyrimidine

D122-0108 Screening compound: 2-(4-{4-[(2,6-dimethylpiperidin-1-yl)sulfonyl]benzenesulfonyl}piperazin-1-yl)pyrimidine
D122-0108 Screening compound: 2-(4-{4-[(2,6-dimethylpiperidin-1-yl)sulfonyl]benzenesulfonyl}piperazin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D122-0108
2-(4-{4-[(2,6-dimethylpiperidin-1-yl)sulfonyl]benzenesulfonyl}piperazin-1-yl)pyrimidine

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

D122-0108

Molecular Formula

C21H29N5O4S2 (C21 H29 N5 O4 S2)

Compound Name

2-(4-{4-[(2,6-dimethylpiperidin-1-yl)sulfonyl]benzenesulfonyl}piperazin-1-yl)pyrimidine

IUPAC name

2-(4-{4-[(26-dimethylpiperidin-1-yl)sulfonyl]benzenesulfonyl}piperazin-1-yl)pyrimidine

SMILES

CC(CCCC1C)N1S(c(cc1)ccc1S(N(CC1)CCN1c1ncccn1)(=O)=O)(=O)=O

InChI

InChI=1S/C21H29N5O4S2/c1-17-5-3-6-18(2)26(17)32(29,30)20-9-7-19(8-10-20)31(27,28)25-15-13-24(14-16-25)21-22-11-4-12-23-21/h4,7-12,17-18H,3,5-6,13-16H2,1-2H3

InChI Key

MKMPXIOGFAZBPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.772

Distribution Coefficient, logD

2.772

Water Solubility, LogSw

-3.12

Polar Surface Area

85.061

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.40

D122-0108 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D122-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D122-0108?
Check Price and Availability of D122-0108, 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 D122-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D122-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D122-0108
  • 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 D122-0108 available by request