E598-0574 Screening compound: 8-[3-(3-fluorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

E598-0574 Screening compound: 8-[3-(3-fluorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
E598-0574 Screening compound: 8-[3-(3-fluorophenyl)-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 E598-0574
8-[3-(3-fluorophenyl)-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

E598-0574

Molecular Formula

C22H26FN3O3 (C22 H26 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c(CCCCC2)n2c(-c2cccc(F)c2)n1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C22H26FN3O3/c23-17-6-4-5-16(15-17)20-24-19(18-7-2-1-3-10-26(18)20)21(27)25-11-8-22(9-12-25)28-13-14-29-22/h4-6,15H,1-3,7-14H2

InChI Key

YCCFQUUJQRDHDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14902611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

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

3.314

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-3.46

Polar Surface Area

42.164

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

E598-0574 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with E598-0574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E598-0574?
Check Price and Availability of E598-0574, 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 E598-0574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E598-0574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E598-0574
  • 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 E598-0574 available by request