8012-9687 Screening compound: 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(4-methylbenzenesulfonyl)piperazine

8012-9687 Screening compound: 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(4-methylbenzenesulfonyl)piperazine
8012-9687 Screening compound: 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(4-methylbenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9687
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(4-methylbenzenesulfonyl)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

8012-9687

Molecular Formula

C16H21N3O2S2 (C16 H21 N3 O2 S2)

Compound Name

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(4-methylbenzenesulfonyl)piperazine

IUPAC name

1-[(2-methyl-13-thiazol-4-yl)methyl]-4-(4-methylbenzenesulfonyl)piperazine

SMILES

Cc1nc(CN(CC2)CCN2S(c2ccc(C)cc2)(=O)=O)cs1

InChI

InChI=1S/C16H21N3O2S2/c1-13-3-5-16(6-4-13)23(20,21)19-9-7-18(8-10-19)11-15-12-22-14(2)17-15/h3-6,12H,7-11H2,1-2H3

InChI Key

RBKAMHRLILBUND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308459

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

351.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.586

Distribution Coefficient, logD

2.584

Water Solubility, LogSw

-2.85

Polar Surface Area

45.797

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

8012-9687 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8012-9687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9687?
Check Price and Availability of 8012-9687, 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 8012-9687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9687
  • 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 8012-9687 available by request