J075-3966 Screening compound: 1-[(5-PHENYL-1,2,4-OXADIAZOL-3-YL)METHYL]-4-[2-(PROPAN-2-YL)-1,3-THIAZOLE-4-CARBONYL]-1,4-DIAZEPANE

J075-3966 Screening compound: 1-[(5-PHENYL-1,2,4-OXADIAZOL-3-YL)METHYL]-4-[2-(PROPAN-2-YL)-1,3-THIAZOLE-4-CARBONYL]-1,4-DIAZEPANE
J075-3966 Screening compound: 1-[(5-PHENYL-1,2,4-OXADIAZOL-3-YL)METHYL]-4-[2-(PROPAN-2-YL)-1,3-THIAZOLE-4-CARBONYL]-1,4-DIAZEPANE alternative view

Chemical Structure Depiction of ChemDiv screening compound J075-3966
1-[(5-PHENYL-1,2,4-OXADIAZOL-3-YL)METHYL]-4-[2-(PROPAN-2-YL)-1,3-THIAZOLE-4-CARBONYL]-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

J075-3966

Molecular Formula

C21H25N5O2S (C21 H25 N5 O2 S)

Compound Name

1-[(5-PHENYL-1,2,4-OXADIAZOL-3-YL)METHYL]-4-[2-(PROPAN-2-YL)-1,3-THIAZOLE-4-CARBONYL]-1,4-DIAZEPANE

IUPAC name

1-[(5-phenyl-124-oxadiazol-3-yl)methyl]-4-[2-(propan-2-yl)-13-thiazole-4-carbonyl]-14-diazepane

SMILES

CC(C)c1nc(C(N2CCN(Cc3noc(-c4ccccc4)n3)CCC2)=O)cs1

InChI

InChI=1S/C21H25N5O2S/c1-15(2)20-22-17(14-29-20)21(27)26-10-6-9-25(11-12-26)13-18-23-19(28-24-18)16-7-4-3-5-8-16/h3-5,7-8,14-15H,6,9-13H2,1-2H3

InChI Key

SNGGSLJYUYZAET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223497

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

411.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.187

Distribution Coefficient, logD

3.187

Water Solubility, LogSw

-3.21

Polar Surface Area

63.432

Acid Dissociation Constant (pKa)

27.31

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

J075-3966 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 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

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J075-3966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J075-3966?
Check Price and Availability of J075-3966, 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 J075-3966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J075-3966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J075-3966
  • 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 J075-3966 available by request