SA52-0200 Screening compound: 3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

SA52-0200 Screening compound: 3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
SA52-0200 Screening compound: 3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA52-0200
3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

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

SA52-0200

Molecular Formula

C20H26F3N5O2 (C20 H26 F3 N5 O2)

Compound Name

3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

IUPAC name

3-(3-methyl-124-oxadiazol-5-yl)-4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-14-diazepane-1-carboxamide

SMILES

CC(C)CN(CCCN(C1)C(Nc2cccc(C(F)(F)F)c2)=O)C1c1nc(C)no1

InChI

InChI=1S/C20H26F3N5O2/c1-13(2)11-27-8-5-9-28(12-17(27)18-24-14(3)26-30-18)19(29)25-16-7-4-6-15(10-16)20(21,22)23/h4,6-7,10,13,17H,5,8-9,11-12H2,1-3H3,(H,25,29)/t17-/m0/s1

InChI Key

BXWHERYDIYFHEI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32237878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.143

Distribution Coefficient, logD

3.860

Water Solubility, LogSw

-4.20

Polar Surface Area

60.934

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

SA52-0200 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA52-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA52-0200?
Check Price and Availability of SA52-0200, 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 SA52-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA52-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA52-0200
  • 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 SA52-0200 available by request