E869-0033 Screening compound: phenyl{4-[(tetrahydro-2-furanylmethyl)amino][1,2,4]triazolo[4,3-a]quinoxalin-8-yl}methanone

E869-0033 Screening compound: phenyl{4-[(tetrahydro-2-furanylmethyl)amino][1,2,4]triazolo[4,3-a]quinoxalin-8-yl}methanone
E869-0033 Screening compound: phenyl{4-[(tetrahydro-2-furanylmethyl)amino][1,2,4]triazolo[4,3-a]quinoxalin-8-yl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E869-0033
phenyl{4-[(tetrahydro-2-furanylmethyl)amino][1,2,4]triazolo[4,3-a]quinoxalin-8-yl}methanone

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

E869-0033

Molecular Formula

C21H19N5O2 (C21 H19 N5 O2)

Compound Name

phenyl{4-[(tetrahydro-2-furanylmethyl)amino][1,2,4]triazolo[4,3-a]quinoxalin-8-yl}methanone

IUPAC name

n/a

SMILES

O=C(c1ccccc1)c(cc1)cc(n2c3nnc2)c1nc3NCC1OCCC1

InChI

InChI=1S/C21H19N5O2/c27-19(14-5-2-1-3-6-14)15-8-9-17-18(11-15)26-13-23-25-21(26)20(24-17)22-12-16-7-4-10-28-16/h1-3,5-6,8-9,11,13,16H,4,7,10,12H2,(H,22,24)/t16-/m1/s1

InChI Key

GLAFADGMLUDSBZ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14924951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.498

Distribution Coefficient, logD

2.498

Water Solubility, LogSw

-3.03

Polar Surface Area

63.522

Acid Dissociation Constant (pKa)

20.63

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

E869-0033 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E869-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E869-0033?
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What is the minimum amount of E869-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E869-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E869-0033
  • 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 E869-0033 available by request