S613-1160 Screening compound: 2-methyl-5-[2-(3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridine

S613-1160 Screening compound: 2-methyl-5-[2-(3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridine
S613-1160 Screening compound: 2-methyl-5-[2-(3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S613-1160
2-methyl-5-[2-(3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridine

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

S613-1160

Molecular Formula

C21H28N4O4 (C21 H28 N4 O4)

Compound Name

2-methyl-5-[2-(3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridine

IUPAC name

2-methyl-5-[2-(3-{2-[(oxan-4-yl)methoxy]ethyl}-124-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridine

SMILES

Cc(cc1)ncc1C(N(CCC1)C1c1nc(CCOCC2CCOCC2)no1)=O

InChI

InChI=1S/C21H28N4O4/c1-15-4-5-17(13-22-15)21(26)25-9-2-3-18(25)20-23-19(24-29-20)8-12-28-14-16-6-10-27-11-7-16/h4-5,13,16,18H,2-3,6-12,14H2,1H3/t18-/m0/s1

InChI Key

UPKZEGZGVHQJQQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31986432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.028

Distribution Coefficient, logD

2.028

Water Solubility, LogSw

-2.04

Polar Surface Area

74.740

Acid Dissociation Constant (pKa)

25.17

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

S613-1160 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S613-1160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S613-1160?
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What is the minimum amount of S613-1160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S613-1160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S613-1160
  • 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 S613-1160 available by request