C246-0229 Screening compound: 1-{[3-(3-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-2,3-dihydro-1H-indole

C246-0229 Screening compound: 1-{[3-(3-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-2,3-dihydro-1H-indole
C246-0229 Screening compound: 1-{[3-(3-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C246-0229
1-{[3-(3-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-2,3-dihydro-1H-indole

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

C246-0229

Molecular Formula

C19H15BrN4S (C19 H15 BrN4 S)

Compound Name

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

IUPAC name

1-{[3-(3-bromophenyl)-[124]triazolo[34-b][13]thiazol-6-yl]methyl}-23-dihydro-1H-indole

SMILES

Brc1cc(-c2nnc3sc(CN(CC4)c5c4cccc5)cn23)ccc1

InChI

InChI=1S/C19H15BrN4S/c20-15-6-3-5-14(10-15)18-21-22-19-24(18)12-16(25-19)11-23-9-8-13-4-1-2-7-17(13)23/h1-7,10,12H,8-9,11H2

InChI Key

AULOUSVXCXLAPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04414794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.879

Distribution Coefficient, logD

4.878

Water Solubility, LogSw

-4.74

Polar Surface Area

25.624

Acid Dissociation Constant (pKa)

25.87

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C246-0229 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C246-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C246-0229?
Check Price and Availability of C246-0229, 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 C246-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C246-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C246-0229
  • 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 C246-0229 available by request