S613-0766 Screening compound: 3-[2-(cyclopropylmethoxy)ethyl]-5-(1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}pyrrolidin-2-yl)-1,2,4-oxadiazole

S613-0766 Screening compound: 3-[2-(cyclopropylmethoxy)ethyl]-5-(1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}pyrrolidin-2-yl)-1,2,4-oxadiazole
S613-0766 Screening compound: 3-[2-(cyclopropylmethoxy)ethyl]-5-(1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}pyrrolidin-2-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S613-0766
3-[2-(cyclopropylmethoxy)ethyl]-5-(1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}pyrrolidin-2-yl)-1,2,4-oxadiazole

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

S613-0766

Molecular Formula

C23H28N4O5 (C23 H28 N4 O5)

Compound Name

3-[2-(cyclopropylmethoxy)ethyl]-5-(1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}pyrrolidin-2-yl)-1,2,4-oxadiazole

IUPAC name

3-[2-(cyclopropylmethoxy)ethyl]-5-(1-{5-[(35-dimethyl-12-oxazol-4-yl)methyl]furan-2-carbonyl}pyrrolidin-2-yl)-124-oxadiazole

SMILES

Cc1noc(C)c1Cc1ccc(C(N(CCC2)C2c2nc(CCOCC3CC3)no2)=O)o1

InChI

InChI=1S/C23H28N4O5/c1-14-18(15(2)31-25-14)12-17-7-8-20(30-17)23(28)27-10-3-4-19(27)22-24-21(26-32-22)9-11-29-13-16-5-6-16/h7-8,16,19H,3-6,9-13H2,1-2H3/t19-/m0/s1

InChI Key

UHORXRVDVMGEEK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD30464904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.219

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.26

Polar Surface Area

87.827

Acid Dissociation Constant (pKa)

25.62

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.52

S613-0766 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Autophagy-Targeted Library (4564 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S613-0766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S613-0766?
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What is the minimum amount of S613-0766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S613-0766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S613-0766
  • 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 S613-0766 available by request