J075-3406 Screening compound: 1-(3-chlorobenzoyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane

J075-3406 Screening compound: 1-(3-chlorobenzoyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane
J075-3406 Screening compound: 1-(3-chlorobenzoyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound J075-3406
1-(3-chlorobenzoyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane

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

J075-3406

Molecular Formula

C21H21ClN4O2 (C21 H21 ClN4 O2)

Compound Name

1-(3-chlorobenzoyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane

IUPAC name

1-(3-chlorobenzoyl)-4-[(5-phenyl-124-oxadiazol-3-yl)methyl]-14-diazepane

SMILES

O=C(c1cccc(Cl)c1)N1CCN(Cc2noc(-c3ccccc3)n2)CCC1

InChI

InChI=1S/C21H21ClN4O2/c22-18-9-4-8-17(14-18)21(27)26-11-5-10-25(12-13-26)15-19-23-20(28-24-19)16-6-2-1-3-7-16/h1-4,6-9,14H,5,10-13,15H2

InChI Key

MRWHPPFEPZGSPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223476

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

396.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.233

Distribution Coefficient, logD

3.233

Water Solubility, LogSw

-3.52

Polar Surface Area

53.426

Acid Dissociation Constant (pKa)

27.23

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

J075-3406 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J075-3406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J075-3406?
Check Price and Availability of J075-3406, 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 J075-3406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J075-3406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J075-3406
  • 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 J075-3406 available by request