G856-0701 Screening compound: (2E)-3-(3-ETHOXY-4-HYDROXYPHENYL)-2-{5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL}PROP-2-ENENITRILE

G856-0701 Screening compound: (2E)-3-(3-ETHOXY-4-HYDROXYPHENYL)-2-{5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL}PROP-2-ENENITRILE
G856-0701 Screening compound: (2E)-3-(3-ETHOXY-4-HYDROXYPHENYL)-2-{5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL}PROP-2-ENENITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-0701
(2E)-3-(3-ETHOXY-4-HYDROXYPHENYL)-2-{5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL}PROP-2-ENENITRILE

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

G856-0701

Molecular Formula

C18H20N4O2 (C18 H20 N4 O2)

Compound Name

(2E)-3-(3-ETHOXY-4-HYDROXYPHENYL)-2-{5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL}PROP-2-ENENITRILE

IUPAC name

n/a

SMILES

CCOc(cc(/C=C(/c1nnc2n1CCCCC2)\C#N)cc1)c1O

InChI

InChI=1S/C18H20N4O2/c1-2-24-16-11-13(7-8-15(16)23)10-14(12-19)18-21-20-17-6-4-3-5-9-22(17)18/h7-8,10-11,23H,2-6,9H2,1H3

InChI Key

OFPSVSSEAFXWPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.406

Distribution Coefficient, logD

2.404

Water Solubility, LogSw

-2.13

Polar Surface Area

66.077

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

G856-0701 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G856-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-0701?
Check Price and Availability of G856-0701, 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 G856-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-0701
  • 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 G856-0701 available by request