E598-0545 Screening compound: 1-[3-(3-fluorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]-1,2,3,4-tetrahydroquinoline

E598-0545 Screening compound: 1-[3-(3-fluorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]-1,2,3,4-tetrahydroquinoline
E598-0545 Screening compound: 1-[3-(3-fluorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E598-0545
1-[3-(3-fluorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]-1,2,3,4-tetrahydroquinoline

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

E598-0545

Molecular Formula

C24H24FN3O (C24 H24 FN3 O)

Compound Name

1-[3-(3-fluorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]-1,2,3,4-tetrahydroquinoline

IUPAC name

1-[3-(3-fluorophenyl)-5H6H7H8H9H-imidazo[15-a]azepine-1-carbonyl]-1234-tetrahydroquinoline

SMILES

O=C(c1c(CCCCC2)n2c(-c2cccc(F)c2)n1)N(CCC1)c2c1cccc2

InChI

InChI=1S/C24H24FN3O/c25-19-11-6-9-18(16-19)23-26-22(21-13-2-1-5-14-27(21)23)24(29)28-15-7-10-17-8-3-4-12-20(17)28/h3-4,6,8-9,11-12,16H,1-2,5,7,10,13-15H2

InChI Key

VVMJOXSYTDSRSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14902591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.538

Distribution Coefficient, logD

5.538

Water Solubility, LogSw

-5.79

Polar Surface Area

26.392

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E598-0545 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E598-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E598-0545?
Check Price and Availability of E598-0545, 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 E598-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E598-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E598-0545
  • 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 E598-0545 available by request