1649-0172 Screening compound: 4-(3-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}propyl)morpholine

1649-0172 Screening compound: 4-(3-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}propyl)morpholine
1649-0172 Screening compound: 4-(3-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}propyl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1649-0172
4-(3-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}propyl)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

1649-0172

Molecular Formula

C16H19N5OS (C16 H19 N5 OS)

Compound Name

4-(3-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}propyl)morpholine

IUPAC name

4-(3-{5H-[124]triazino[56-b]indol-3-ylsulfanyl}propyl)morpholine

SMILES

C(CN1CCOCC1)CSc1nnc(c(cccc2)c2[nH]2)c2n1

InChI

InChI=1S/C16H19N5OS/c1-2-5-13-12(4-1)14-15(17-13)18-16(20-19-14)23-11-3-6-21-7-9-22-10-8-21/h1-2,4-5H,3,6-11H2,(H,17,18,20)

InChI Key

YJMJVMXNHQDOCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00394170

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

329.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.686

Distribution Coefficient, logD

1.358

Water Solubility, LogSw

-2.28

Polar Surface Area

53.426

Acid Dissociation Constant (pKa)

17.75

Base Dissociation Constant (pKb)

7.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

1649-0172 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 1649-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1649-0172?
Check Price and Availability of 1649-0172, 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 1649-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1649-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1649-0172
  • 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 1649-0172 available by request