E784-0027 Screening compound: 1-{8-methyl-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}azepane

E784-0027 Screening compound: 1-{8-methyl-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}azepane
E784-0027 Screening compound: 1-{8-methyl-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound E784-0027
1-{8-methyl-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}azepane

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

E784-0027

Molecular Formula

C15H18N6 (C15 H18 N6)

Compound Name

1-{8-methyl-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}azepane

IUPAC name

1-{8-methyl-[1234]tetrazolo[15-a]quinoxalin-4-yl}azepane

SMILES

Cc(cc1)cc(n2nnnc22)c1nc2N1CCCCCC1

InChI

InChI=1S/C15H18N6/c1-11-6-7-12-13(10-11)21-15(17-18-19-21)14(16-12)20-8-4-2-3-5-9-20/h6-7,10H,2-5,8-9H2,1H3

InChI Key

XXSBNMZDJCDDML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.447

Distribution Coefficient, logD

3.446

Water Solubility, LogSw

-3.41

Polar Surface Area

48.541

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

E784-0027 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E784-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E784-0027?
Check Price and Availability of E784-0027, 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 E784-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E784-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E784-0027
  • 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 E784-0027 available by request