S700-0980 Screening compound: 5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]-3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazole

S700-0980 Screening compound: 5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]-3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazole
S700-0980 Screening compound: 5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]-3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S700-0980
5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]-3-{2-[(oxan-4-yl)methoxy]ethyl}-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

S700-0980

Molecular Formula

C19H27N5O4 (C19 H27 N5 O4)

Compound Name

5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]-3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazole

IUPAC name

5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]-3-{2-[(oxan-4-yl)methoxy]ethyl}-124-oxadiazole

SMILES

CCn(cc1)nc1C(N(C1)CC1c1nc(CCOCC2CCOCC2)no1)=O

InChI

InChI=1S/C19H27N5O4/c1-2-24-7-3-16(21-24)19(25)23-11-15(12-23)18-20-17(22-28-18)6-10-27-13-14-4-8-26-9-5-14/h3,7,14-15H,2,4-6,8-13H2,1H3

InChI Key

XBLSIWQJLOOADI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31989194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.285

Distribution Coefficient, logD

1.285

Water Solubility, LogSw

-1.77

Polar Surface Area

80.319

Acid Dissociation Constant (pKa)

25.83

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.42

S700-0980 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 S700-0980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S700-0980?
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What is the minimum amount of S700-0980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S700-0980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S700-0980
  • 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 S700-0980 available by request