0272-0088 Screening compound: 4-[2-({8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]morpholine

0272-0088 Screening compound: 4-[2-({8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]morpholine
0272-0088 Screening compound: 4-[2-({8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0272-0088
4-[2-({8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]morpholine

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

0272-0088

Molecular Formula

C15H16BrN5OS (C15 H16 BrN5 OS)

Compound Name

4-[2-({8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]morpholine

IUPAC name

4-[2-({8-bromo-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)ethyl]morpholine

SMILES

Brc(cc1)cc2c1[nH]c1nc(SCCN3CCOCC3)nnc12

InChI

InChI=1S/C15H16BrN5OS/c16-10-1-2-12-11(9-10)13-14(17-12)18-15(20-19-13)23-8-5-21-3-6-22-7-4-21/h1-2,9H,3-8H2,(H,17,18,20)

InChI Key

IGKCHCRBHSDDCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00394172

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

394.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.916

Distribution Coefficient, logD

1.802

Water Solubility, LogSw

-2.52

Polar Surface Area

53.426

Acid Dissociation Constant (pKa)

17.75

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

0272-0088 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 0272-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0272-0088?
Check Price and Availability of 0272-0088, 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 0272-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0272-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0272-0088
  • 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 0272-0088 available by request