G856-1558 Screening compound: 1-{[3-(3-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-3-methylpiperidine

G856-1558 Screening compound: 1-{[3-(3-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-3-methylpiperidine
G856-1558 Screening compound: 1-{[3-(3-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-3-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-1558
1-{[3-(3-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-3-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

G856-1558

Molecular Formula

C17H19BrN4S (C17 H19 BrN4 S)

Compound Name

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

IUPAC name

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

SMILES

CC1CN(Cc(s2)cn3c2nnc3-c2cccc(Br)c2)CCC1

InChI

InChI=1S/C17H19BrN4S/c1-12-4-3-7-21(9-12)10-15-11-22-16(19-20-17(22)23-15)13-5-2-6-14(18)8-13/h2,5-6,8,11-12H,3-4,7,9-10H2,1H3/t12-/m0/s1

InChI Key

YQESBIHHLCIMEP-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD06401628

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

4.138

Distribution Coefficient, logD

2.222

Water Solubility, LogSw

-4.01

Polar Surface Area

26.361

Acid Dissociation Constant (pKa)

25.38

Base Dissociation Constant (pKb)

9.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

G856-1558 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 G856-1558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-1558?
Check Price and Availability of G856-1558, 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 G856-1558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-1558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-1558
  • 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 G856-1558 available by request