E711-0254 Screening compound: 8-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

E711-0254 Screening compound: 8-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
E711-0254 Screening compound: 8-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound E711-0254
8-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

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

E711-0254

Molecular Formula

C22H26ClN3O3 (C22 H26 ClN3 O3)

Compound Name

8-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[3-(4-chlorophenyl)-5H6H7H8H9H-imidazo[15-a]azepine-1-carbonyl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(c1c(CCCCC2)n2c(-c(cc2)ccc2Cl)n1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C22H26ClN3O3/c23-17-7-5-16(6-8-17)20-24-19(18-4-2-1-3-11-26(18)20)21(27)25-12-9-22(10-13-25)28-14-15-29-22/h5-8H,1-4,9-15H2

InChI Key

NKARMOYIYCTJFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.788

Distribution Coefficient, logD

3.788

Water Solubility, LogSw

-4.39

Polar Surface Area

42.164

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

E711-0254 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E711-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E711-0254?
Check Price and Availability of E711-0254, 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 E711-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E711-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E711-0254
  • 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 E711-0254 available by request