S613-0745 Screening compound: 1-(2-{3-[2-(CYCLOPROPYLMETHOXY)ETHYL]-1,2,4-OXADIAZOL-5-YL}-1-PYRROLIDINYL)-2-[5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]-1-ETHANONE

S613-0745 Screening compound: 1-(2-{3-[2-(CYCLOPROPYLMETHOXY)ETHYL]-1,2,4-OXADIAZOL-5-YL}-1-PYRROLIDINYL)-2-[5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]-1-ETHANONE
S613-0745 Screening compound: 1-(2-{3-[2-(CYCLOPROPYLMETHOXY)ETHYL]-1,2,4-OXADIAZOL-5-YL}-1-PYRROLIDINYL)-2-[5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S613-0745
1-(2-{3-[2-(CYCLOPROPYLMETHOXY)ETHYL]-1,2,4-OXADIAZOL-5-YL}-1-PYRROLIDINYL)-2-[5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]-1-ETHANONE

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

S613-0745

Molecular Formula

C19H24F3N5O3 (C19 H24 F3 N5 O3)

Compound Name

1-(2-{3-[2-(CYCLOPROPYLMETHOXY)ETHYL]-1,2,4-OXADIAZOL-5-YL}-1-PYRROLIDINYL)-2-[5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]-1-ETHANONE

IUPAC name

n/a

SMILES

Cc1cc(C(F)(F)F)nn1CC(N(CCC1)C1c1nc(CCOCC2CC2)no1)=O

InChI

InChI=1S/C19H24F3N5O3/c1-12-9-15(19(20,21)22)24-27(12)10-17(28)26-7-2-3-14(26)18-23-16(25-30-18)6-8-29-11-13-4-5-13/h9,13-14H,2-8,10-11H2,1H3/t14-/m0/s1

InChI Key

ISWVUUVCWRBKSG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29015400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.089

Distribution Coefficient, logD

2.089

Water Solubility, LogSw

-2.14

Polar Surface Area

71.892

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.40

S613-0745 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S613-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S613-0745?
Check Price and Availability of S613-0745, 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 S613-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S613-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S613-0745
  • 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 S613-0745 available by request