E208-0076 Screening compound: 4-({1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)phenol

E208-0076 Screening compound: 4-({1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)phenol
E208-0076 Screening compound: 4-({1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound E208-0076
4-({1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)phenol

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

E208-0076

Molecular Formula

C16H13N5O (C16 H13 N5 O)

Compound Name

4-({1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)phenol

IUPAC name

4-({1-methyl-[124]triazolo[43-a]quinoxalin-4-yl}amino)phenol

SMILES

Cc1nnc2n1c(cccc1)c1nc2Nc(cc1)ccc1O

InChI

InChI=1S/C16H13N5O/c1-10-19-20-16-15(17-11-6-8-12(22)9-7-11)18-13-4-2-3-5-14(13)21(10)16/h2-9,22H,1H3,(H,17,18)

InChI Key

VYKHFERQDLAOOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27597754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.232

Distribution Coefficient, logD

2.222

Water Solubility, LogSw

-1.79

Polar Surface Area

57.867

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

E208-0076 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Purinergic Library (3321 compounds)

Covalent Inhibitors Library (7986 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E208-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E208-0076?
Check Price and Availability of E208-0076, 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 E208-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E208-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E208-0076
  • 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 E208-0076 available by request