C246-0234 Screening compound: 2-{[3-(3-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-1,2,3,4-tetrahydroisoquinoline

C246-0234 Screening compound: 2-{[3-(3-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-1,2,3,4-tetrahydroisoquinoline
C246-0234 Screening compound: 2-{[3-(3-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C246-0234
2-{[3-(3-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-1,2,3,4-tetrahydroisoquinoline

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

C246-0234

Molecular Formula

C20H17BrN4S (C20 H17 BrN4 S)

Compound Name

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

IUPAC name

2-{[3-(3-bromophenyl)-[124]triazolo[34-b][13]thiazol-6-yl]methyl}-1234-tetrahydroisoquinoline

SMILES

Brc1cc(-c2nnc3sc(CN(CC4)Cc5c4cccc5)cn23)ccc1

InChI

InChI=1S/C20H17BrN4S/c21-17-7-3-6-15(10-17)19-22-23-20-25(19)13-18(26-20)12-24-9-8-14-4-1-2-5-16(14)11-24/h1-7,10,13H,8-9,11-12H2

InChI Key

KNXKORUIBLGINR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04414796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.35

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

4.849

Distribution Coefficient, logD

4.261

Water Solubility, LogSw

-4.70

Polar Surface Area

26.089

Acid Dissociation Constant (pKa)

25.50

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C246-0234 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C246-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C246-0234?
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What is the minimum amount of C246-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C246-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C246-0234
  • 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 C246-0234 available by request