C246-0361 Screening compound: 1-{[3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-4-methylpiperidine

C246-0361 Screening compound: 1-{[3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-4-methylpiperidine
C246-0361 Screening compound: 1-{[3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C246-0361
1-{[3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-4-methylpiperidine

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

C246-0361

Molecular Formula

C17H19BrN4S (C17 H19 BrN4 S)

Compound Name

1-{[3-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-4-methylpiperidine

IUPAC name

1-{[3-(4-bromophenyl)-[124]triazolo[34-b][13]thiazol-6-yl]methyl}-4-methylpiperidine

SMILES

CC1CCN(Cc(s2)cn3c2nnc3-c(cc2)ccc2Br)CC1

InChI

InChI=1S/C17H19BrN4S/c1-12-6-8-21(9-7-12)10-15-11-22-16(19-20-17(22)23-15)13-2-4-14(18)5-3-13/h2-5,11-12H,6-10H2,1H3

InChI Key

ZHZXUOQAMWLUQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04414816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.253

Distribution Coefficient, logD

2.448

Water Solubility, LogSw

-3.98

Polar Surface Area

26.427

Acid Dissociation Constant (pKa)

26.62

Base Dissociation Constant (pKb)

9.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

C246-0361 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C246-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C246-0361?
Check Price and Availability of C246-0361, 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 C246-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C246-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C246-0361
  • 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 C246-0361 available by request