E598-0651 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[3-(3-fluorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]piperazine

E598-0651 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[3-(3-fluorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]piperazine
E598-0651 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[3-(3-fluorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E598-0651
1-(5-chloro-2-methylphenyl)-4-[3-(3-fluorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]piperazine

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

E598-0651

Molecular Formula

C26H28ClFN4O (C26 H28 ClFN4 O)

Compound Name

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

IUPAC name

1-(5-chloro-2-methylphenyl)-4-[3-(3-fluorophenyl)-5H6H7H8H9H-imidazo[15-a]azepine-1-carbonyl]piperazine

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(c1c(CCCCC2)n2c(-c2cc(F)ccc2)n1)=O

InChI

InChI=1S/C26H28ClFN4O/c1-18-9-10-20(27)17-23(18)30-12-14-31(15-13-30)26(33)24-22-8-3-2-4-11-32(22)25(29-24)19-6-5-7-21(28)16-19/h5-7,9-10,16-17H,2-4,8,11-15H2,1H3

InChI Key

HKKSOAPFWGNMBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14902661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.99

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.170

Distribution Coefficient, logD

6.170

Water Solubility, LogSw

-6.12

Polar Surface Area

30.687

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

E598-0651 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E598-0651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E598-0651?
Check Price and Availability of E598-0651, 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 E598-0651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E598-0651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E598-0651
  • 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 E598-0651 available by request