E475-1139 Screening compound: 1-cyclohexyl-4-[3-(4-methylphenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]piperazine

E475-1139 Screening compound: 1-cyclohexyl-4-[3-(4-methylphenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]piperazine
E475-1139 Screening compound: 1-cyclohexyl-4-[3-(4-methylphenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E475-1139
1-cyclohexyl-4-[3-(4-methylphenyl)-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

E475-1139

Molecular Formula

C26H36N4O (C26 H36 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1nc(C(N(CC2)CCN2C2CCCCC2)=O)c2n1CCCCC2

InChI

InChI=1S/C26H36N4O/c1-20-11-13-21(14-12-20)25-27-24(23-10-6-3-7-15-30(23)25)26(31)29-18-16-28(17-19-29)22-8-4-2-5-9-22/h11-14,22H,2-10,15-19H2,1H3

InChI Key

CLPUPCUCVGFOQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14855749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.211

Distribution Coefficient, logD

5.047

Water Solubility, LogSw

-4.95

Polar Surface Area

30.821

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

E475-1139 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E475-1139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E475-1139?
Check Price and Availability of E475-1139, 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 E475-1139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E475-1139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E475-1139
  • 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 E475-1139 available by request