SA52-1561 Screening compound: 1-benzoyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepane

SA52-1561 Screening compound: 1-benzoyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepane
SA52-1561 Screening compound: 1-benzoyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA52-1561
1-benzoyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-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

SA52-1561

Molecular Formula

C15H18N4O2 (C15 H18 N4 O2)

Compound Name

1-benzoyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepane

IUPAC name

1-benzoyl-2-(3-methyl-124-oxadiazol-5-yl)-14-diazepane

SMILES

Cc1noc(C(CNCCC2)N2C(c2ccccc2)=O)n1

InChI

InChI=1S/C15H18N4O2/c1-11-17-14(21-18-11)13-10-16-8-5-9-19(13)15(20)12-6-3-2-4-7-12/h2-4,6-7,13,16H,5,8-10H2,1H3/t13-/m0/s1

InChI Key

QTTBVEOABBGGOS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32200547

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

286.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.703

Distribution Coefficient, logD

-0.445

Water Solubility, LogSw

-1.62

Polar Surface Area

60.094

Acid Dissociation Constant (pKa)

26.16

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

SA52-1561 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS BBB Library (22607 compounds)

CORONAVIRUS Library (20774 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with SA52-1561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA52-1561?
Check Price and Availability of SA52-1561, 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 SA52-1561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA52-1561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA52-1561
  • 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 SA52-1561 available by request