E683-0451 Screening compound: 3,4,5-triethoxy-N-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)benzamide

E683-0451 Screening compound: 3,4,5-triethoxy-N-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)benzamide
E683-0451 Screening compound: 3,4,5-triethoxy-N-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E683-0451
3,4,5-triethoxy-N-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)benzamide

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

E683-0451

Molecular Formula

C26H32N4O4 (C26 H32 N4 O4)

Compound Name

3,4,5-triethoxy-N-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)benzamide

IUPAC name

345-triethoxy-N-(4-{5H6H7H8H9H-[124]triazolo[43-a]azepin-3-yl}phenyl)benzamide

SMILES

CCOc1cc(C(Nc(cc2)ccc2-c2nnc3n2CCCCC3)=O)cc(OCC)c1OCC

InChI

InChI=1S/C26H32N4O4/c1-4-32-21-16-19(17-22(33-5-2)24(21)34-6-3)26(31)27-20-13-11-18(12-14-20)25-29-28-23-10-8-7-9-15-30(23)25/h11-14,16-17H,4-10,15H2,1-3H3,(H,27,31)

InChI Key

JWDBHSBWJRTCQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04514874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-4.06

Polar Surface Area

70.071

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

E683-0451 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E683-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E683-0451?
Check Price and Availability of E683-0451, 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 E683-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E683-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E683-0451
  • 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 E683-0451 available by request